N-[1-(aminomethyl)cyclopentyl]-4-methylsulfanylbutanamide

C11H22N2OS — CID 119568496

IUPACN-[1-(aminomethyl)cyclopentyl]-4-methylsulfanylbutanamide
SMILESCSCCCC(=O)NC1(CN)CCCC1
InChIInChI=1S/C11H22N2OS/c1-15-8-4-5-10(14)13-11(9-12)6-2-3-7-11/h2-9,12H2,1H3,(H,13,14)
InChIKeyCBIREOHKLPHHKV-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.52
Rot. Bonds6

About N-[1-(aminomethyl)cyclopentyl]-4-methylsulfanylbutanamide

N-[1-(aminomethyl)cyclopentyl]-4-methylsulfanylbutanamide (PubChem CID 119568496) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-4-methylsulfanylbutanamide
PubChem CID119568496
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-4-methylsulfanylbutanamide
SMILESCSCCCC(=O)NC1(CN)CCCC1
InChIInChI=1S/C11H22N2OS/c1-15-8-4-5-10(14)13-11(9-12)6-2-3-7-11/h2-9,12H2,1H3,(H,13,14)
InChIKeyCBIREOHKLPHHKV-UHFFFAOYSA-N
XLogP1.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.52
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]-5-methylsulfanylpentanamide
CID 119565662
N-[1-(aminomethyl)cyclopentyl]-3-butylsulfanylpropanamide
CID 119568512
N-[1-(aminomethyl)cyclopentyl]-5-methoxypentanamide;hydrochloride
CID 119567009
N-[1-(aminomethyl)cyclopentyl]-4-(dipropylamino)butanamide;dihydrochloride
CID 119566129
N-[1-(aminomethyl)cyclopentyl]-3-cyclopropylpropanamide
CID 119565149
N-[1-(aminomethyl)cyclopentyl]-4-prop-2-enoxybutanamide;hydrochloride
CID 119566629
N-[1-(aminomethyl)cyclopentyl]-4-phenylbutanamide
CID 63754522
N-[1-(aminomethyl)cyclopentyl]-4-(5-methylthiophen-2-yl)butanamide
CID 119568060
2-[1-(3-methylsulfanylpropanoylamino)cyclohexyl]acetic acid
CID 64671361
N-[1-(aminomethyl)cyclopentyl]-3-(2-methoxyethoxy)propanamide;hydrochloride
CID 119567939
N-[1-(aminomethyl)cyclohexyl]-2-methoxyacetamide
CID 63755662
N-[1-(aminomethyl)cyclopentyl]-2-ethylsulfonylacetamide
CID 119566982

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-methylsulfanylbutanamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-methylsulfanylbutanamide (CID 119568496) is N-[1-(aminomethyl)cyclopentyl]-4-methylsulfanylbutanamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-4-methylsulfanylbutanamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-4-methylsulfanylbutanamide is CSCCCC(=O)NC1(CN)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-4-methylsulfanylbutanamide?
The InChIKey is CBIREOHKLPHHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-15-8-4-5-10(14)13-11(9-12)6-2-3-7-11/h2-9,12H2,1H3,(H,13,14).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-4-methylsulfanylbutanamide?
N-[1-(aminomethyl)cyclopentyl]-4-methylsulfanylbutanamide has a molecular weight of 230.38 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 119568496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).