5,5-dimethyl-N-(2-methylcyclopentyl)thian-3-amine

C13H25NS — CID 79958244

IUPAC5,5-dimethyl-N-(2-methylcyclopentyl)thian-3-amine
SMILESCC1CCCC1NC1CSCC(C)(C)C1
InChIInChI=1S/C13H25NS/c1-10-5-4-6-12(10)14-11-7-13(2,3)9-15-8-11/h10-12,14H,4-9H2,1-3H3
InChIKeyULQFTMXPYOLMSE-UHFFFAOYSA-N
MW227.42 g/mol
LogP3.30
Rot. Bonds2

About 5,5-dimethyl-N-(2-methylcyclopentyl)thian-3-amine

5,5-dimethyl-N-(2-methylcyclopentyl)thian-3-amine (PubChem CID 79958244) has the molecular formula C13H25NS and a molecular weight of 227.42 g/mol. Its IUPAC name is 5,5-dimethyl-N-(2-methylcyclopentyl)thian-3-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-(2-methylcyclopentyl)thian-3-amine
PubChem CID79958244
Molecular FormulaC13H25NS
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC Name5,5-dimethyl-N-(2-methylcyclopentyl)thian-3-amine
SMILESCC1CCCC1NC1CSCC(C)(C)C1
InChIInChI=1S/C13H25NS/c1-10-5-4-6-12(10)14-11-7-13(2,3)9-15-8-11/h10-12,14H,4-9H2,1-3H3
InChIKeyULQFTMXPYOLMSE-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5,5-dimethylthian-3-yl)amino]cyclopentane-1-carbonitrile
CID 79958647
N-(2-bicyclo[2.2.1]heptanyl)-5,5-dimethylthian-3-amine
CID 79958327
N-(2-methylcyclopentyl)thiolan-3-amine
CID 63277405
N-(3-ethyl-2-methylcyclopentyl)-5,5-dimethylthian-3-amine
CID 79958329
N-(5,5-dimethylthian-3-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 79956040
N-(cyclobutylmethyl)-5,5-dimethylthian-3-amine
CID 79956232
N-(3,3-difluorocyclobutyl)-2-methylcyclopentan-1-amine
CID 130660555
N-(3,3-dimethylcyclopentyl)-2,3-dimethylcyclohexan-1-amine
CID 80693580
cis-(1R,2S)-N-cyclopropyl-2-methylcyclohexan-1-amine
CID 30048017
4,4-dimethyl-N-(2-methylcyclohexyl)cycloheptan-1-amine
CID 65082506
cis-(1S,2R)-2-methyl-N-[(1S,2R)-2-methylcyclopentyl]cyclohexan-1-amine
CID 124708997
tert-butyl N-[2-[(5,5-dimethylthian-3-yl)amino]cyclopropyl]carbamate
CID 107238022

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-(2-methylcyclopentyl)thian-3-amine?
The IUPAC name of 5,5-dimethyl-N-(2-methylcyclopentyl)thian-3-amine (CID 79958244) is 5,5-dimethyl-N-(2-methylcyclopentyl)thian-3-amine.
What is the SMILES notation for 5,5-dimethyl-N-(2-methylcyclopentyl)thian-3-amine?
The canonical SMILES for 5,5-dimethyl-N-(2-methylcyclopentyl)thian-3-amine is CC1CCCC1NC1CSCC(C)(C)C1.
What is the InChIKey of 5,5-dimethyl-N-(2-methylcyclopentyl)thian-3-amine?
The InChIKey is ULQFTMXPYOLMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NS/c1-10-5-4-6-12(10)14-11-7-13(2,3)9-15-8-11/h10-12,14H,4-9H2,1-3H3.
What are the key properties of 5,5-dimethyl-N-(2-methylcyclopentyl)thian-3-amine?
5,5-dimethyl-N-(2-methylcyclopentyl)thian-3-amine has a molecular weight of 227.42 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-(2-methylcyclopentyl)thian-3-amine is sourced from PubChem (CID 79958244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).