2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]thiophene-3-carboxamide

C12H17N3O2S — CID 115435197

IUPAC2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]thiophene-3-carboxamide
SMILESNCC1(C(=O)Nc2sccc2C(N)=O)CCCC1
InChIInChI=1S/C12H17N3O2S/c13-7-12(4-1-2-5-12)11(17)15-10-8(9(14)16)3-6-18-10/h3,6H,1-2,4-5,7,13H2,(H2,14,16)(H,15,17)
InChIKeyVICVXRZESPYKGH-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.30
Rot. Bonds4

About 2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]thiophene-3-carboxamide

2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]thiophene-3-carboxamide (PubChem CID 115435197) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]thiophene-3-carboxamide
PubChem CID115435197
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]thiophene-3-carboxamide
SMILESNCC1(C(=O)Nc2sccc2C(N)=O)CCCC1
InChIInChI=1S/C12H17N3O2S/c13-7-12(4-1-2-5-12)11(17)15-10-8(9(14)16)3-6-18-10/h3,6H,1-2,4-5,7,13H2,(H2,14,16)(H,15,17)
InChIKeyVICVXRZESPYKGH-UHFFFAOYSA-N
XLogP1.30
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]thiophene-3-carboxamide
CID 115437776
N-(3-carbamoylthiophen-2-yl)-4-ethylpiperidine-4-carboxamide
CID 55177786
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]benzamide
CID 115434729
1-(aminomethyl)-N-(2-carbamoylphenyl)cycloheptane-1-carboxamide
CID 115443739
N-(3-carbamoylthiophen-2-yl)-3-methylpiperidine-3-carboxamide
CID 63135299
2-[(2-aminoacetyl)amino]thiophene-3-carboxamide
CID 60641622
ethyl 2-[[4-(aminomethyl)oxane-4-carbonyl]amino]thiophene-3-carboxylate
CID 115439460
2-(4-aminobutanoylamino)thiophene-3-carboxamide
CID 61251927
1-(aminomethyl)-N-(1,3-thiazol-2-yl)cycloheptane-1-carboxamide
CID 115443706
1-(aminomethyl)-N-(1-benzothiophen-5-yl)cyclopentane-1-carboxamide
CID 81489454
1-(aminomethyl)-N-[4-(carbamoylamino)phenyl]cyclohexane-1-carboxamide
CID 115437417
2-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]thiophene-3-carboxamide
CID 9264394

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]thiophene-3-carboxamide (CID 115435197) is 2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]thiophene-3-carboxamide is NCC1(C(=O)Nc2sccc2C(N)=O)CCCC1.
What is the InChIKey of 2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]thiophene-3-carboxamide?
The InChIKey is VICVXRZESPYKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c13-7-12(4-1-2-5-12)11(17)15-10-8(9(14)16)3-6-18-10/h3,6H,1-2,4-5,7,13H2,(H2,14,16)(H,15,17).
What are the key properties of 2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]thiophene-3-carboxamide?
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]thiophene-3-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 115435197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).