N-(3-piperidin-2-ylphenyl)sulfanylmethanamine

C12H18N2S — CID 131995035

IUPACN-(3-piperidin-2-ylphenyl)sulfanylmethanamine
SMILESCNSc1cccc(C2CCCCN2)c1
InChIInChI=1S/C12H18N2S/c1-13-15-11-6-4-5-10(9-11)12-7-2-3-8-14-12/h4-6,9,12-14H,2-3,7-8H2,1H3
InChIKeyGRNALOKONGXUCE-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.73
Rot. Bonds3

About N-(3-piperidin-2-ylphenyl)sulfanylmethanamine

N-(3-piperidin-2-ylphenyl)sulfanylmethanamine (PubChem CID 131995035) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is N-(3-piperidin-2-ylphenyl)sulfanylmethanamine.

Molecular Properties

Compound NameN-(3-piperidin-2-ylphenyl)sulfanylmethanamine
PubChem CID131995035
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC NameN-(3-piperidin-2-ylphenyl)sulfanylmethanamine
SMILESCNSc1cccc(C2CCCCN2)c1
InChIInChI=1S/C12H18N2S/c1-13-15-11-6-4-5-10(9-11)12-7-2-3-8-14-12/h4-6,9,12-14H,2-3,7-8H2,1H3
InChIKeyGRNALOKONGXUCE-UHFFFAOYSA-N
XLogP2.73
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(3-methylphenyl)azepane
CID 7048257
N-methyl-3-[(2R)-piperidin-2-yl]benzenesulfonamide
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(2R)-2-(3-iodophenyl)piperidine
CID 7048045
3-[(2S)-piperidin-2-yl]phenol
CID 55277853
(2R)-2-(3-ethenylphenyl)piperidine
CID 131060850
(2R)-2-(3-chlorophenyl)piperidine;hydrochloride
CID 154574647
2-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine
CID 117431747
(2S)-2-phenylpiperidine
CID 10997356
2-(3-chlorophenyl)azepane;hydrochloride
CID 46835309
(2S)-2-(3-phenylphenyl)piperidine;hydrochloride
CID 171195217
1-(3-piperidin-2-ylphenyl)ethanol
CID 117116288
2-[3-(2-fluoropropan-2-yl)phenyl]piperidine
CID 84687033

Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-2-ylphenyl)sulfanylmethanamine?
The IUPAC name of N-(3-piperidin-2-ylphenyl)sulfanylmethanamine (CID 131995035) is N-(3-piperidin-2-ylphenyl)sulfanylmethanamine.
What is the SMILES notation for N-(3-piperidin-2-ylphenyl)sulfanylmethanamine?
The canonical SMILES for N-(3-piperidin-2-ylphenyl)sulfanylmethanamine is CNSc1cccc(C2CCCCN2)c1.
What is the InChIKey of N-(3-piperidin-2-ylphenyl)sulfanylmethanamine?
The InChIKey is GRNALOKONGXUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-13-15-11-6-4-5-10(9-11)12-7-2-3-8-14-12/h4-6,9,12-14H,2-3,7-8H2,1H3.
What are the key properties of N-(3-piperidin-2-ylphenyl)sulfanylmethanamine?
N-(3-piperidin-2-ylphenyl)sulfanylmethanamine has a molecular weight of 222.36 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-2-ylphenyl)sulfanylmethanamine is sourced from PubChem (CID 131995035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).