[3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophen-2-yl]-cyclopropylmethanone

C17H24N2OS — CID 103422444

IUPAC[3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophen-2-yl]-cyclopropylmethanone
SMILESCCN(CC1CC1)c1sc(C(=O)C2CC2)c(N)c1C1CC1
InChIInChI=1S/C17H24N2OS/c1-2-19(9-10-3-4-10)17-13(11-5-6-11)14(18)16(21-17)15(20)12-7-8-12/h10-12H,2-9,18H2,1H3
InChIKeyKFMPEDRFEWFXEY-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.04
Rot. Bonds7

About [3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophen-2-yl]-cyclopropylmethanone

[3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophen-2-yl]-cyclopropylmethanone (PubChem CID 103422444) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is [3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophen-2-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophen-2-yl]-cyclopropylmethanone
PubChem CID103422444
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name[3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophen-2-yl]-cyclopropylmethanone
SMILESCCN(CC1CC1)c1sc(C(=O)C2CC2)c(N)c1C1CC1
InChIInChI=1S/C17H24N2OS/c1-2-19(9-10-3-4-10)17-13(11-5-6-11)14(18)16(21-17)15(20)12-7-8-12/h10-12H,2-9,18H2,1H3
InChIKeyKFMPEDRFEWFXEY-UHFFFAOYSA-N
XLogP4.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide
CID 103422409
[3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone
CID 107403324
[3-amino-4-cyclopropyl-5-[methyl(propyl)amino]thiophen-2-yl]-cyclopropylmethanone
CID 103421298
1-[3-amino-4-cyclopropyl-5-(dipropylamino)thiophen-2-yl]propan-1-one
CID 103419941
methyl 3-amino-4-cyclopropyl-5-[ethyl(2-methylpropyl)amino]thiophene-2-carboxylate
CID 103420777
3-amino-5-[cyclopropylmethyl(ethyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide
CID 103422477
3-amino-5-[cyclohexylmethyl(methyl)amino]-4-cyclopropylthiophene-2-carboxamide
CID 103417931
1-[3-amino-5-[cyclopropylmethyl(ethyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103422418
3-amino-5-[cyclopropylmethyl(ethyl)amino]-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide
CID 103422426
ethyl 4-amino-5-carbamoyl-2-[cyclopropylmethyl(ethyl)amino]thiophene-3-carboxylate
CID 103422466
3-amino-4-cyclopropyl-N-ethyl-5-[ethyl(2-methylpropyl)amino]thiophene-2-carboxamide
CID 103420839
1-[3-amino-4-cyclopropyl-5-(dipropylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103419964

Frequently Asked Questions

What is the IUPAC name of [3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophen-2-yl]-cyclopropylmethanone?
The IUPAC name of [3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophen-2-yl]-cyclopropylmethanone (CID 103422444) is [3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophen-2-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophen-2-yl]-cyclopropylmethanone?
The canonical SMILES for [3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophen-2-yl]-cyclopropylmethanone is CCN(CC1CC1)c1sc(C(=O)C2CC2)c(N)c1C1CC1.
What is the InChIKey of [3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophen-2-yl]-cyclopropylmethanone?
The InChIKey is KFMPEDRFEWFXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-2-19(9-10-3-4-10)17-13(11-5-6-11)14(18)16(21-17)15(20)12-7-8-12/h10-12H,2-9,18H2,1H3.
What are the key properties of [3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophen-2-yl]-cyclopropylmethanone?
[3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophen-2-yl]-cyclopropylmethanone has a molecular weight of 304.46 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophen-2-yl]-cyclopropylmethanone is sourced from PubChem (CID 103422444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).