cis-(1R,2R)-N-methoxy-2-(phenylsulfanylmethyl)cyclopentan-1-amine

C13H19NOS — CID 12996598

IUPACcis-(1R,2R)-N-methoxy-2-(phenylsulfanylmethyl)cyclopentan-1-amine
SMILESCON[C@@H]1CCC[C@H]1CSc1ccccc1
InChIInChI=1S/C13H19NOS/c1-15-14-13-9-5-6-11(13)10-16-12-7-3-2-4-8-12/h2-4,7-8,11,13-14H,5-6,9-10H2,1H3/t11-,13+/m0/s1
InChIKeyVZOINHGMJGCEJD-WCQYABFASA-N
MW237.37 g/mol
LogP3.10
Rot. Bonds5

About cis-(1R,2R)-N-methoxy-2-(phenylsulfanylmethyl)cyclopentan-1-amine

cis-(1R,2R)-N-methoxy-2-(phenylsulfanylmethyl)cyclopentan-1-amine (PubChem CID 12996598) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is cis-(1R,2R)-N-methoxy-2-(phenylsulfanylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1R,2R)-N-methoxy-2-(phenylsulfanylmethyl)cyclopentan-1-amine
PubChem CID12996598
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Namecis-(1R,2R)-N-methoxy-2-(phenylsulfanylmethyl)cyclopentan-1-amine
SMILESCON[C@@H]1CCC[C@H]1CSc1ccccc1
InChIInChI=1S/C13H19NOS/c1-15-14-13-9-5-6-11(13)10-16-12-7-3-2-4-8-12/h2-4,7-8,11,13-14H,5-6,9-10H2,1H3/t11-,13+/m0/s1
InChIKeyVZOINHGMJGCEJD-WCQYABFASA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(1S,2R)-2-(phenylsulfanylmethyl)cyclopentyl]carbamate
CID 11001308
dimethyl (3aS,6aR)-3-(phenylsulfanylmethyl)-3,3a,4,5,6,6a-hexahydro-2H-pentalene-1,1-dicarboxylate
CID 134980596
1-benzyl-4-(methoxyamino)-3-(phenylsulfanylmethyl)pyrrolidin-2-one
CID 11290822
N-(cyanomethyl)-2-(phenylsulfanylmethyl)cyclohexane-1-carboxamide
CID 70683941
cyclopropylmethylsulfanylbenzene
CID 579222
tert-butyl (2S,3R,4S)-3-(methoxyamino)-2-methyl-4-(phenylsulfanylmethyl)pyrrolidine-1-carboxylate
CID 101185311
cis-(1R,2R)-3,3-dimethyl-2-(phenylsulfanylmethyl)cyclopentan-1-ol
CID 11218600
dimethyl (1S,9aS)-1-(phenylsulfanylmethyl)-1,2,5,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3,3-dicarboxylate
CID 101436947
2-[[(1S,2R)-2-benzylcyclopentyl]amino]acetonitrile
CID 99792150
1,3-dimethyl-4-(phenylsulfanylmethyl)pyrrolidine
CID 71221184
2-phenylsulfanyl-N-[(2R)-2-[(2-phenylsulfanylacetyl)amino]cyclohexyl]acetamide
CID 126728987
methyl 2-[cyclopentyl-(2-phenylsulfanylacetyl)amino]acetate
CID 80718069

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-N-methoxy-2-(phenylsulfanylmethyl)cyclopentan-1-amine?
The IUPAC name of cis-(1R,2R)-N-methoxy-2-(phenylsulfanylmethyl)cyclopentan-1-amine (CID 12996598) is cis-(1R,2R)-N-methoxy-2-(phenylsulfanylmethyl)cyclopentan-1-amine.
What is the SMILES notation for cis-(1R,2R)-N-methoxy-2-(phenylsulfanylmethyl)cyclopentan-1-amine?
The canonical SMILES for cis-(1R,2R)-N-methoxy-2-(phenylsulfanylmethyl)cyclopentan-1-amine is CON[C@@H]1CCC[C@H]1CSc1ccccc1.
What is the InChIKey of cis-(1R,2R)-N-methoxy-2-(phenylsulfanylmethyl)cyclopentan-1-amine?
The InChIKey is VZOINHGMJGCEJD-WCQYABFASA-N. The full InChI is InChI=1S/C13H19NOS/c1-15-14-13-9-5-6-11(13)10-16-12-7-3-2-4-8-12/h2-4,7-8,11,13-14H,5-6,9-10H2,1H3/t11-,13+/m0/s1.
What are the key properties of cis-(1R,2R)-N-methoxy-2-(phenylsulfanylmethyl)cyclopentan-1-amine?
cis-(1R,2R)-N-methoxy-2-(phenylsulfanylmethyl)cyclopentan-1-amine has a molecular weight of 237.37 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-N-methoxy-2-(phenylsulfanylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 12996598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).