cis-(1R,3S)-N-methyl-3-methylsulfanyl-N-(2-pyridin-4-ylethyl)cyclopentan-1-amine

C14H22N2S — CID 96519458

IUPACcis-(1R,3S)-N-methyl-3-methylsulfanyl-N-(2-pyridin-4-ylethyl)cyclopentan-1-amine
SMILESCS[C@H]1CC[C@@H](N(C)CCc2ccncc2)C1
InChIInChI=1S/C14H22N2S/c1-16(13-3-4-14(11-13)17-2)10-7-12-5-8-15-9-6-12/h5-6,8-9,13-14H,3-4,7,10-11H2,1-2H3/t13-,14+/m1/s1
InChIKeyAIACHDSZNWKNDB-KGLIPLIRSA-N
MW250.41 g/mol
LogP2.84
Rot. Bonds5

About cis-(1R,3S)-N-methyl-3-methylsulfanyl-N-(2-pyridin-4-ylethyl)cyclopentan-1-amine

cis-(1R,3S)-N-methyl-3-methylsulfanyl-N-(2-pyridin-4-ylethyl)cyclopentan-1-amine (PubChem CID 96519458) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is cis-(1R,3S)-N-methyl-3-methylsulfanyl-N-(2-pyridin-4-ylethyl)cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1R,3S)-N-methyl-3-methylsulfanyl-N-(2-pyridin-4-ylethyl)cyclopentan-1-amine
PubChem CID96519458
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Namecis-(1R,3S)-N-methyl-3-methylsulfanyl-N-(2-pyridin-4-ylethyl)cyclopentan-1-amine
SMILESCS[C@H]1CC[C@@H](N(C)CCc2ccncc2)C1
InChIInChI=1S/C14H22N2S/c1-16(13-3-4-14(11-13)17-2)10-7-12-5-8-15-9-6-12/h5-6,8-9,13-14H,3-4,7,10-11H2,1-2H3/t13-,14+/m1/s1
InChIKeyAIACHDSZNWKNDB-KGLIPLIRSA-N
XLogP2.84
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,3R)-N-methyl-3-methylsulfanyl-N-(pyridin-3-ylmethyl)cyclopentan-1-amine
CID 99106803
N-methyl-4-methylsulfanyl-N-(2-pyridin-4-ylethyl)pyrrolidin-3-amine
CID 82760083
N'-cyclopropyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 61349557
2-[cyclopropyl(2-pyridin-4-ylethyl)amino]ethanol
CID 60774994
1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopentane-1,2-diamine
CID 60912856
N-methyl-N-(2-piperidin-4-ylsulfanylethyl)-2-pyridin-4-ylethanamine
CID 114628277
3-[cyclopropyl(methylsulfonyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 113136290
3-cyclopropyl-1-methyl-1-(2-pyridin-4-ylethyl)thiourea
CID 116507582
2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclohexan-1-ol
CID 62609026
N-ethyl-N-(2-pyridin-4-ylethyl)azetidin-3-amine
CID 66183855
N-(2-bromoethyl)-N-methyl-2-pyridin-4-ylethanamine
CID 61286935
1-N,2-N,3,3-tetramethyl-1-N-(2-pyridin-4-ylethyl)cyclohexane-1,2-diamine
CID 79828998

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-N-methyl-3-methylsulfanyl-N-(2-pyridin-4-ylethyl)cyclopentan-1-amine?
The IUPAC name of cis-(1R,3S)-N-methyl-3-methylsulfanyl-N-(2-pyridin-4-ylethyl)cyclopentan-1-amine (CID 96519458) is cis-(1R,3S)-N-methyl-3-methylsulfanyl-N-(2-pyridin-4-ylethyl)cyclopentan-1-amine.
What is the SMILES notation for cis-(1R,3S)-N-methyl-3-methylsulfanyl-N-(2-pyridin-4-ylethyl)cyclopentan-1-amine?
The canonical SMILES for cis-(1R,3S)-N-methyl-3-methylsulfanyl-N-(2-pyridin-4-ylethyl)cyclopentan-1-amine is CS[C@H]1CC[C@@H](N(C)CCc2ccncc2)C1.
What is the InChIKey of cis-(1R,3S)-N-methyl-3-methylsulfanyl-N-(2-pyridin-4-ylethyl)cyclopentan-1-amine?
The InChIKey is AIACHDSZNWKNDB-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H22N2S/c1-16(13-3-4-14(11-13)17-2)10-7-12-5-8-15-9-6-12/h5-6,8-9,13-14H,3-4,7,10-11H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of cis-(1R,3S)-N-methyl-3-methylsulfanyl-N-(2-pyridin-4-ylethyl)cyclopentan-1-amine?
cis-(1R,3S)-N-methyl-3-methylsulfanyl-N-(2-pyridin-4-ylethyl)cyclopentan-1-amine has a molecular weight of 250.41 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-N-methyl-3-methylsulfanyl-N-(2-pyridin-4-ylethyl)cyclopentan-1-amine is sourced from PubChem (CID 96519458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).