4,4-dimethyl-N-(2-methylcycloheptyl)thian-3-amine

C15H29NS — CID 79948975

IUPAC4,4-dimethyl-N-(2-methylcycloheptyl)thian-3-amine
SMILESCC1CCCCCC1NC1CSCCC1(C)C
InChIInChI=1S/C15H29NS/c1-12-7-5-4-6-8-13(12)16-14-11-17-10-9-15(14,2)3/h12-14,16H,4-11H2,1-3H3
InChIKeyCUMXSJSUYCGXOT-UHFFFAOYSA-N
MW255.47 g/mol
LogP4.08
Rot. Bonds2

About 4,4-dimethyl-N-(2-methylcycloheptyl)thian-3-amine

4,4-dimethyl-N-(2-methylcycloheptyl)thian-3-amine (PubChem CID 79948975) has the molecular formula C15H29NS and a molecular weight of 255.47 g/mol. Its IUPAC name is 4,4-dimethyl-N-(2-methylcycloheptyl)thian-3-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-(2-methylcycloheptyl)thian-3-amine
PubChem CID79948975
Molecular FormulaC15H29NS
Molecular Weight255.47 g/mol
Exact Mass255.20
IUPAC Name4,4-dimethyl-N-(2-methylcycloheptyl)thian-3-amine
SMILESCC1CCCCCC1NC1CSCCC1(C)C
InChIInChI=1S/C15H29NS/c1-12-7-5-4-6-8-13(12)16-14-11-17-10-9-15(14,2)3/h12-14,16H,4-11H2,1-3H3
InChIKeyCUMXSJSUYCGXOT-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4,4-dimethylthian-3-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 79949021
N-[(1S)-1-cyclohexylethyl]-4,4-dimethylthian-3-amine
CID 81387257
N-(3,3-dimethylcyclopentyl)-4,4-dimethylthian-3-amine
CID 114544200
2-[(2,2-dimethylcyclopentyl)amino]cycloheptan-1-ol
CID 79861277
N-(2-methylcyclopentyl)thiolan-3-amine
CID 63277405
N-(2,2-dimethylcyclopentyl)-2,4,4-trimethylcyclohexan-1-amine
CID 81320577
N-(2,2-dimethylcyclopentyl)-2-methylthiolan-3-amine
CID 102672503
N-(1,1-dioxothian-3-yl)-4,4-dimethylthian-3-amine
CID 79948037
trans-(1R,2R)-2-[(2,2-dimethylcyclohexyl)amino]cyclohexan-1-ol
CID 102731420
cis-(1S,2R)-2-methyl-N-[(1S,2R)-2-methylcyclopentyl]cyclohexan-1-amine
CID 124708997
tert-butyl N-[2-[(4,4-dimethylthian-3-yl)amino]cyclopropyl]carbamate
CID 107237709
N-(dicyclopropylmethyl)-4,4-dimethylthian-3-amine
CID 79951815

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-(2-methylcycloheptyl)thian-3-amine?
The IUPAC name of 4,4-dimethyl-N-(2-methylcycloheptyl)thian-3-amine (CID 79948975) is 4,4-dimethyl-N-(2-methylcycloheptyl)thian-3-amine.
What is the SMILES notation for 4,4-dimethyl-N-(2-methylcycloheptyl)thian-3-amine?
The canonical SMILES for 4,4-dimethyl-N-(2-methylcycloheptyl)thian-3-amine is CC1CCCCCC1NC1CSCCC1(C)C.
What is the InChIKey of 4,4-dimethyl-N-(2-methylcycloheptyl)thian-3-amine?
The InChIKey is CUMXSJSUYCGXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NS/c1-12-7-5-4-6-8-13(12)16-14-11-17-10-9-15(14,2)3/h12-14,16H,4-11H2,1-3H3.
What are the key properties of 4,4-dimethyl-N-(2-methylcycloheptyl)thian-3-amine?
4,4-dimethyl-N-(2-methylcycloheptyl)thian-3-amine has a molecular weight of 255.47 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(2-methylcycloheptyl)thian-3-amine is sourced from PubChem (CID 79948975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).