N-[(3-aminocyclopentyl)methyl]-3-sulfanylpropanamide

C9H18N2OS — CID 123690704

IUPACN-[(3-aminocyclopentyl)methyl]-3-sulfanylpropanamide
SMILESNC1CCC(CNC(=O)CCS)C1
InChIInChI=1S/C9H18N2OS/c10-8-2-1-7(5-8)6-11-9(12)3-4-13/h7-8,13H,1-6,10H2,(H,11,12)
InChIKeyPPBAKIIJKLQOGB-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.55
Rot. Bonds4

About N-[(3-aminocyclopentyl)methyl]-3-sulfanylpropanamide

N-[(3-aminocyclopentyl)methyl]-3-sulfanylpropanamide (PubChem CID 123690704) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is N-[(3-aminocyclopentyl)methyl]-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-[(3-aminocyclopentyl)methyl]-3-sulfanylpropanamide
PubChem CID123690704
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC NameN-[(3-aminocyclopentyl)methyl]-3-sulfanylpropanamide
SMILESNC1CCC(CNC(=O)CCS)C1
InChIInChI=1S/C9H18N2OS/c10-8-2-1-7(5-8)6-11-9(12)3-4-13/h7-8,13H,1-6,10H2,(H,11,12)
InChIKeyPPBAKIIJKLQOGB-UHFFFAOYSA-N
XLogP0.55
TPSA55.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[(3-aminocyclopentyl)methyl]-2-cyclopropylacetamide
CID 83619287
N-[(4-hydroxycyclohexyl)methyl]-3-sulfanylpropanamide
CID 106137800
N-[(4-aminocyclohexyl)methyl]pentanamide
CID 106124302
N-[(3-hydroxycyclopentyl)methyl]-2-sulfanylacetamide
CID 106137763
N-[(3-aminocyclohexyl)methyl]-2-cyclohexylacetamide
CID 106123088
N-[(4-aminocyclohexyl)methyl]-3-cyclohexylpropanamide
CID 106124035
N-[(3-aminocyclopentyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 106121317
2-(3-aminocyclopentyl)oxy-N-(cyclopropylmethyl)acetamide
CID 79465996
1-[[(1S,3R)-3-aminocyclopentyl]methyl]-3-cyclopentylurea
CID 165447997
N-[[(1R,3S)-3-aminocyclopentyl]methyl]-2,3,3-trimethylbutanamide
CID 165448067
N-[(3-aminocyclohexyl)methyl]-3-propoxypropanamide
CID 106123778
N-[(3-methylcyclopentyl)methyl]butanamide
CID 107415486

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclopentyl)methyl]-3-sulfanylpropanamide?
The IUPAC name of N-[(3-aminocyclopentyl)methyl]-3-sulfanylpropanamide (CID 123690704) is N-[(3-aminocyclopentyl)methyl]-3-sulfanylpropanamide.
What is the SMILES notation for N-[(3-aminocyclopentyl)methyl]-3-sulfanylpropanamide?
The canonical SMILES for N-[(3-aminocyclopentyl)methyl]-3-sulfanylpropanamide is NC1CCC(CNC(=O)CCS)C1.
What is the InChIKey of N-[(3-aminocyclopentyl)methyl]-3-sulfanylpropanamide?
The InChIKey is PPBAKIIJKLQOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c10-8-2-1-7(5-8)6-11-9(12)3-4-13/h7-8,13H,1-6,10H2,(H,11,12).
What are the key properties of N-[(3-aminocyclopentyl)methyl]-3-sulfanylpropanamide?
N-[(3-aminocyclopentyl)methyl]-3-sulfanylpropanamide has a molecular weight of 202.32 g/mol, XLogP of 0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclopentyl)methyl]-3-sulfanylpropanamide is sourced from PubChem (CID 123690704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).