1-(aminomethyl)-N-thiophen-3-ylcyclopropane-1-carboxamide

C9H12N2OS — CID 115453472

IUPAC1-(aminomethyl)-N-thiophen-3-ylcyclopropane-1-carboxamide
SMILESNCC1(C(=O)Nc2ccsc2)CC1
InChIInChI=1S/C9H12N2OS/c10-6-9(2-3-9)8(12)11-7-1-4-13-5-7/h1,4-5H,2-3,6,10H2,(H,11,12)
InChIKeyHZUWHMZCUCNDGQ-UHFFFAOYSA-N
MW196.28 g/mol
LogP1.43
Rot. Bonds3

About 1-(aminomethyl)-N-thiophen-3-ylcyclopropane-1-carboxamide

1-(aminomethyl)-N-thiophen-3-ylcyclopropane-1-carboxamide (PubChem CID 115453472) has the molecular formula C9H12N2OS and a molecular weight of 196.28 g/mol. Its IUPAC name is 1-(aminomethyl)-N-thiophen-3-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-thiophen-3-ylcyclopropane-1-carboxamide
PubChem CID115453472
Molecular FormulaC9H12N2OS
Molecular Weight196.28 g/mol
Exact Mass196.07
IUPAC Name1-(aminomethyl)-N-thiophen-3-ylcyclopropane-1-carboxamide
SMILESNCC1(C(=O)Nc2ccsc2)CC1
InChIInChI=1S/C9H12N2OS/c10-6-9(2-3-9)8(12)11-7-1-4-13-5-7/h1,4-5H,2-3,6,10H2,(H,11,12)
InChIKeyHZUWHMZCUCNDGQ-UHFFFAOYSA-N
XLogP1.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-thiophen-3-yloxane-4-carboxamide;hydrochloride
CID 120933240
1-(aminomethyl)-4-methyl-N-thiophen-3-ylcyclohexane-1-carboxamide
CID 113310541
1-amino-N-thiophen-3-ylcyclopentane-1-carboxamide;hydrochloride
CID 119326724
1-(aminomethyl)-N-(4-hydroxyphenyl)cyclohexane-1-carboxamide
CID 115437412
4-methyl-N-thiophen-3-ylpiperidine-4-carboxamide
CID 66352171
1-(aminomethyl)-N-(2-methyl-4-pyridinyl)cyclopropane-1-carboxamide
CID 80599055
1-(aminomethyl)-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide
CID 81489545
1-(aminomethyl)-N-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxamide
CID 115182510
1-(aminomethyl)-N-(2-thiophen-3-ylethyl)cyclobutane-1-carboxamide
CID 115448466
1-(aminomethyl)-N-[4-(carbamoylamino)phenyl]cyclohexane-1-carboxamide
CID 115437417
1-(aminomethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide
CID 80587391
1-(aminomethyl)-N-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxamide
CID 115453515

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-thiophen-3-ylcyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-thiophen-3-ylcyclopropane-1-carboxamide (CID 115453472) is 1-(aminomethyl)-N-thiophen-3-ylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-thiophen-3-ylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-thiophen-3-ylcyclopropane-1-carboxamide is NCC1(C(=O)Nc2ccsc2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-thiophen-3-ylcyclopropane-1-carboxamide?
The InChIKey is HZUWHMZCUCNDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c10-6-9(2-3-9)8(12)11-7-1-4-13-5-7/h1,4-5H,2-3,6,10H2,(H,11,12).
What are the key properties of 1-(aminomethyl)-N-thiophen-3-ylcyclopropane-1-carboxamide?
1-(aminomethyl)-N-thiophen-3-ylcyclopropane-1-carboxamide has a molecular weight of 196.28 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-thiophen-3-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 115453472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).