2-[[(2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

C15H18N6O2S2 — CID 9450138

IUPAC2-[[(2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESC[C@H](Sc1nnnn1C1CC1)C(=O)Nc1sc2c(c1C(N)=O)CCC2
InChIInChI=1S/C15H18N6O2S2/c1-7(24-15-18-19-20-21(15)8-5-6-8)13(23)17-14-11(12(16)22)9-3-2-4-10(9)25-14/h7-8H,2-6H2,1H3,(H2,16,22)(H,17,23)/t7-/m0/s1
InChIKeyIJBDEKLBGWYSJO-ZETCQYMHSA-N
MW378.48 g/mol
LogP1.78
Rot. Bonds6

About 2-[[(2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

2-[[(2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (PubChem CID 9450138) has the molecular formula C15H18N6O2S2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-[[(2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[(2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
PubChem CID9450138
Molecular FormulaC15H18N6O2S2
Molecular Weight378.48 g/mol
Exact Mass378.09
IUPAC Name2-[[(2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESC[C@H](Sc1nnnn1C1CC1)C(=O)Nc1sc2c(c1C(N)=O)CCC2
InChIInChI=1S/C15H18N6O2S2/c1-7(24-15-18-19-20-21(15)8-5-6-8)13(23)17-14-11(12(16)22)9-3-2-4-10(9)25-14/h7-8H,2-6H2,1H3,(H2,16,22)(H,17,23)/t7-/m0/s1
InChIKeyIJBDEKLBGWYSJO-ZETCQYMHSA-N
XLogP1.78
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2-[(4-benzyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 170370790
2-[[(2R)-2-(4-acetamidophenyl)sulfanylpropanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 8948769
methyl 2-[[2-(1-cyclohexyltetrazol-5-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 46639395
2-[[(2S)-2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 41084756
(2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-cyclopropylpropanamide
CID 26012514
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 24519960
2-[[(2S)-2-(4-methylpiperidin-1-yl)propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 9444091
2-[[(2R)-2-pyrrolidin-1-ylpropanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 9275032
[1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] N,N'-diamino-N-cyclopropylcarbamimidothioate
CID 138577856
2-[[(2R)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 41235778
2-[[(2S)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylpropanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 41260344
2-[(2-bromo-3-methylbutanoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 43470534

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The IUPAC name of 2-[[(2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (CID 9450138) is 2-[[(2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[(2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The canonical SMILES for 2-[[(2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is C[C@H](Sc1nnnn1C1CC1)C(=O)Nc1sc2c(c1C(N)=O)CCC2.
What is the InChIKey of 2-[[(2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The InChIKey is IJBDEKLBGWYSJO-ZETCQYMHSA-N. The full InChI is InChI=1S/C15H18N6O2S2/c1-7(24-15-18-19-20-21(15)8-5-6-8)13(23)17-14-11(12(16)22)9-3-2-4-10(9)25-14/h7-8H,2-6H2,1H3,(H2,16,22)(H,17,23)/t7-/m0/s1.
What are the key properties of 2-[[(2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
2-[[(2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is sourced from PubChem (CID 9450138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).