N-[1-(aminomethyl)cyclopentyl]-3-butylsulfanylpropanamide

C13H26N2OS — CID 119568512

IUPACN-[1-(aminomethyl)cyclopentyl]-3-butylsulfanylpropanamide
SMILESCCCCSCCC(=O)NC1(CN)CCCC1
InChIInChI=1S/C13H26N2OS/c1-2-3-9-17-10-6-12(16)15-13(11-14)7-4-5-8-13/h2-11,14H2,1H3,(H,15,16)
InChIKeyDCUJKIWERGMICE-UHFFFAOYSA-N
MW258.43 g/mol
LogP2.30
Rot. Bonds8

About N-[1-(aminomethyl)cyclopentyl]-3-butylsulfanylpropanamide

N-[1-(aminomethyl)cyclopentyl]-3-butylsulfanylpropanamide (PubChem CID 119568512) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-3-butylsulfanylpropanamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-3-butylsulfanylpropanamide
PubChem CID119568512
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-3-butylsulfanylpropanamide
SMILESCCCCSCCC(=O)NC1(CN)CCCC1
InChIInChI=1S/C13H26N2OS/c1-2-3-9-17-10-6-12(16)15-13(11-14)7-4-5-8-13/h2-11,14H2,1H3,(H,15,16)
InChIKeyDCUJKIWERGMICE-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-4-methylsulfanylbutanamide
CID 119568496
1-(3-butylsulfanylpropanoylamino)cyclopentane-1-carboxylic acid
CID 119176584
N-[1-(aminomethyl)cyclopentyl]-5-methylsulfanylpentanamide
CID 119565662
N-[1-(aminomethyl)cyclopentyl]-4-(dipropylamino)butanamide;dihydrochloride
CID 119566129
N-[1-(aminomethyl)cyclopentyl]-3-cyclopropylpropanamide
CID 119565149
N-[1-(aminomethyl)-4-methylcyclohexyl]butanamide
CID 63766676
N-[1-(aminomethyl)cyclopentyl]-5-methoxypentanamide;hydrochloride
CID 119567009
N-[1-(aminomethyl)cyclopentyl]-2-(4-butylphenyl)acetamide
CID 119568183
N-[1-(aminomethyl)cyclopentyl]-2-ethylsulfonylacetamide
CID 119566982
N-[1-(aminomethyl)cyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475793
N-[1-(bromomethyl)cyclopentyl]hexanamide
CID 114311357
N-[1-(hydroxymethyl)cyclopentyl]heptanamide
CID 62518617

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-butylsulfanylpropanamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-butylsulfanylpropanamide (CID 119568512) is N-[1-(aminomethyl)cyclopentyl]-3-butylsulfanylpropanamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-3-butylsulfanylpropanamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-3-butylsulfanylpropanamide is CCCCSCCC(=O)NC1(CN)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-3-butylsulfanylpropanamide?
The InChIKey is DCUJKIWERGMICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-2-3-9-17-10-6-12(16)15-13(11-14)7-4-5-8-13/h2-11,14H2,1H3,(H,15,16).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-3-butylsulfanylpropanamide?
N-[1-(aminomethyl)cyclopentyl]-3-butylsulfanylpropanamide has a molecular weight of 258.43 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-3-butylsulfanylpropanamide is sourced from PubChem (CID 119568512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).