[3-(cyclopentylsulfinylmethyl)phenyl]methanamine

C13H19NOS — CID 81333401

IUPAC[3-(cyclopentylsulfinylmethyl)phenyl]methanamine
SMILESNCc1cccc(CS(=O)C2CCCC2)c1
InChIInChI=1S/C13H19NOS/c14-9-11-4-3-5-12(8-11)10-16(15)13-6-1-2-7-13/h3-5,8,13H,1-2,6-7,9-10,14H2
InChIKeyQEVURALTRGDTGK-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.34
Rot. Bonds4

About [3-(cyclopentylsulfinylmethyl)phenyl]methanamine

[3-(cyclopentylsulfinylmethyl)phenyl]methanamine (PubChem CID 81333401) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is [3-(cyclopentylsulfinylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(cyclopentylsulfinylmethyl)phenyl]methanamine
PubChem CID81333401
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name[3-(cyclopentylsulfinylmethyl)phenyl]methanamine
SMILESNCc1cccc(CS(=O)C2CCCC2)c1
InChIInChI=1S/C13H19NOS/c14-9-11-4-3-5-12(8-11)10-16(15)13-6-1-2-7-13/h3-5,8,13H,1-2,6-7,9-10,14H2
InChIKeyQEVURALTRGDTGK-UHFFFAOYSA-N
XLogP2.34
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclopentylsulfinylmethyl)benzonitrile
CID 63791036
[5-(cyclopentylsulfinylmethyl)-2-fluorophenyl]methanamine
CID 107881574
4-amino-N-[3-(cyclohexylsulfinylmethyl)phenyl]butanamide
CID 119327228
[4-(oxan-4-ylsulfinylmethyl)phenyl]methanamine
CID 81332801
N-[3-(aminomethyl)phenyl]-3-cyclopentylsulfinylpropanamide
CID 81333278
N-[3-(aminomethyl)phenyl]-4-cyclopentylsulfinylbutanamide
CID 81333991
N-[3-(cyclohexylsulfinylmethyl)phenyl]prop-2-enamide
CID 166405123
[4-(cyclohexylsulfinylmethyl)phenyl]methanol
CID 110004991
N-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-4-carboxamide
CID 119327208
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
4-(cyclopentylsulfinylmethyl)-2-fluorobenzoic acid
CID 106700649
[4-(2-cyclohexylsulfinylethoxy)phenyl]methanamine
CID 81328051

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopentylsulfinylmethyl)phenyl]methanamine?
The IUPAC name of [3-(cyclopentylsulfinylmethyl)phenyl]methanamine (CID 81333401) is [3-(cyclopentylsulfinylmethyl)phenyl]methanamine.
What is the SMILES notation for [3-(cyclopentylsulfinylmethyl)phenyl]methanamine?
The canonical SMILES for [3-(cyclopentylsulfinylmethyl)phenyl]methanamine is NCc1cccc(CS(=O)C2CCCC2)c1.
What is the InChIKey of [3-(cyclopentylsulfinylmethyl)phenyl]methanamine?
The InChIKey is QEVURALTRGDTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c14-9-11-4-3-5-12(8-11)10-16(15)13-6-1-2-7-13/h3-5,8,13H,1-2,6-7,9-10,14H2.
What are the key properties of [3-(cyclopentylsulfinylmethyl)phenyl]methanamine?
[3-(cyclopentylsulfinylmethyl)phenyl]methanamine has a molecular weight of 237.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopentylsulfinylmethyl)phenyl]methanamine is sourced from PubChem (CID 81333401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).