1-(2-tert-butylsulfanylcyclopentyl)-N,N-dimethylmethanamine

C12H25NS — CID 118445226

IUPAC1-(2-tert-butylsulfanylcyclopentyl)-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCC1SC(C)(C)C
InChIInChI=1S/C12H25NS/c1-12(2,3)14-11-8-6-7-10(11)9-13(4)5/h10-11H,6-9H2,1-5H3
InChIKeyANAJLFRFNZQPKR-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.25
Rot. Bonds3

About 1-(2-tert-butylsulfanylcyclopentyl)-N,N-dimethylmethanamine

1-(2-tert-butylsulfanylcyclopentyl)-N,N-dimethylmethanamine (PubChem CID 118445226) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 1-(2-tert-butylsulfanylcyclopentyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(2-tert-butylsulfanylcyclopentyl)-N,N-dimethylmethanamine
PubChem CID118445226
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name1-(2-tert-butylsulfanylcyclopentyl)-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCC1SC(C)(C)C
InChIInChI=1S/C12H25NS/c1-12(2,3)14-11-8-6-7-10(11)9-13(4)5/h10-11H,6-9H2,1-5H3
InChIKeyANAJLFRFNZQPKR-UHFFFAOYSA-N
XLogP3.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(2-ethylsulfanylcyclopentyl)-N,N-dimethylethanamine
CID 57823202
N,N,2-trimethyl-1-methylsulfanylhexan-1-amine
CID 123172580
N-[(3,4-dimethylthiolan-2-yl)methyl]-N-methylethanamine
CID 132149841
cis-(1S,3R)-N,N-dimethyl-3-(methylsulfanylmethyl)cyclopentan-1-amine
CID 156061993
4-butan-2-ylsulfanyl-N,N,4-trimethylpentan-1-amine
CID 156099511
N-ethyl-N-(thiepan-4-ylmethyl)propan-1-amine
CID 163258271
N,N-dimethyl-1-(thiepan-4-yl)methanamine;ethane
CID 163259172
7-Ethyl-2-methyl-5-thia-2-azaspiro[3.4]octane
CID 163390240
3-(3,4-dimethylthiolan-2-yl)-N,N-dimethylpropan-1-amine
CID 166647314
N-methyl-N-(thiepan-4-ylmethyl)propan-1-amine
CID 169307410
1-(3-Ethylsulfanylpropyl)-3-propylpyrrolidine
CID 103715167
1-(2-Ethylsulfanylethyl)-3-propylpyrrolidine
CID 103715168

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylsulfanylcyclopentyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(2-tert-butylsulfanylcyclopentyl)-N,N-dimethylmethanamine (CID 118445226) is 1-(2-tert-butylsulfanylcyclopentyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(2-tert-butylsulfanylcyclopentyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(2-tert-butylsulfanylcyclopentyl)-N,N-dimethylmethanamine is CN(C)CC1CCCC1SC(C)(C)C.
What is the InChIKey of 1-(2-tert-butylsulfanylcyclopentyl)-N,N-dimethylmethanamine?
The InChIKey is ANAJLFRFNZQPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-12(2,3)14-11-8-6-7-10(11)9-13(4)5/h10-11H,6-9H2,1-5H3.
What are the key properties of 1-(2-tert-butylsulfanylcyclopentyl)-N,N-dimethylmethanamine?
1-(2-tert-butylsulfanylcyclopentyl)-N,N-dimethylmethanamine has a molecular weight of 215.41 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylsulfanylcyclopentyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 118445226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).