4,4-dimethyl-N-[(1-methylcyclopentyl)methyl]thian-3-amine

C14H27NS — CID 79948969

IUPAC4,4-dimethyl-N-[(1-methylcyclopentyl)methyl]thian-3-amine
SMILESCC1(CNC2CSCCC2(C)C)CCCC1
InChIInChI=1S/C14H27NS/c1-13(2)8-9-16-10-12(13)15-11-14(3)6-4-5-7-14/h12,15H,4-11H2,1-3H3
InChIKeyWQMIMBZISNCTEU-UHFFFAOYSA-N
MW241.44 g/mol
LogP3.69
Rot. Bonds3

About 4,4-dimethyl-N-[(1-methylcyclopentyl)methyl]thian-3-amine

4,4-dimethyl-N-[(1-methylcyclopentyl)methyl]thian-3-amine (PubChem CID 79948969) has the molecular formula C14H27NS and a molecular weight of 241.44 g/mol. Its IUPAC name is 4,4-dimethyl-N-[(1-methylcyclopentyl)methyl]thian-3-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-[(1-methylcyclopentyl)methyl]thian-3-amine
PubChem CID79948969
Molecular FormulaC14H27NS
Molecular Weight241.44 g/mol
Exact Mass241.19
IUPAC Name4,4-dimethyl-N-[(1-methylcyclopentyl)methyl]thian-3-amine
SMILESCC1(CNC2CSCCC2(C)C)CCCC1
InChIInChI=1S/C14H27NS/c1-13(2)8-9-16-10-12(13)15-11-14(3)6-4-5-7-14/h12,15H,4-11H2,1-3H3
InChIKeyWQMIMBZISNCTEU-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(dimethylamino)cyclopentyl]methyl]-4,4-dimethylthian-3-amine
CID 83107348
[1-[[(4,4-dimethylthian-3-yl)amino]methyl]cyclohexyl]methanol
CID 113359583
N-but-3-ynyl-4,4-dimethylthian-3-amine
CID 79948373
3-[[(4,4-dimethylthian-3-yl)amino]methyl]oxolan-3-ol
CID 106099929
3-[(4,4-dimethylthian-3-yl)amino]-2-methylpropane-1,2-diol
CID 79948294
4,4-dimethyl-N-[2-(oxan-2-yl)ethyl]thian-3-amine
CID 114135823
[4-[[(4,4-dimethylthian-3-yl)amino]methyl]phenyl]methanol
CID 107229911
3-[(4,4-dimethylthian-3-yl)amino]-2-hydroxypropanamide
CID 106170755
4,4-dimethyl-N-[(2-methylphenyl)methyl]thian-3-amine
CID 79948692
N-[(4-methoxyphenyl)methyl]-4,4-dimethylthian-3-amine
CID 79952105
N-[(1-methylcyclobutyl)methyl]thian-4-amine;hydrochloride
CID 115680419
3-[[(4,4-dimethylthian-3-yl)amino]methyl]hexan-1-ol
CID 106114383

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-[(1-methylcyclopentyl)methyl]thian-3-amine?
The IUPAC name of 4,4-dimethyl-N-[(1-methylcyclopentyl)methyl]thian-3-amine (CID 79948969) is 4,4-dimethyl-N-[(1-methylcyclopentyl)methyl]thian-3-amine.
What is the SMILES notation for 4,4-dimethyl-N-[(1-methylcyclopentyl)methyl]thian-3-amine?
The canonical SMILES for 4,4-dimethyl-N-[(1-methylcyclopentyl)methyl]thian-3-amine is CC1(CNC2CSCCC2(C)C)CCCC1.
What is the InChIKey of 4,4-dimethyl-N-[(1-methylcyclopentyl)methyl]thian-3-amine?
The InChIKey is WQMIMBZISNCTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NS/c1-13(2)8-9-16-10-12(13)15-11-14(3)6-4-5-7-14/h12,15H,4-11H2,1-3H3.
What are the key properties of 4,4-dimethyl-N-[(1-methylcyclopentyl)methyl]thian-3-amine?
4,4-dimethyl-N-[(1-methylcyclopentyl)methyl]thian-3-amine has a molecular weight of 241.44 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-[(1-methylcyclopentyl)methyl]thian-3-amine is sourced from PubChem (CID 79948969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).