1,4-dimethyl-3-methylsulfanylpiperidine

C8H17NS — CID 123865415

IUPAC1,4-dimethyl-3-methylsulfanylpiperidine
SMILESCSC1CN(C)CCC1C
InChIInChI=1S/C8H17NS/c1-7-4-5-9(2)6-8(7)10-3/h7-8H,4-6H2,1-3H3
InChIKeySFGIRTBUUANHNF-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.69
Rot. Bonds1

About 1,4-dimethyl-3-methylsulfanylpiperidine

1,4-dimethyl-3-methylsulfanylpiperidine (PubChem CID 123865415) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 1,4-dimethyl-3-methylsulfanylpiperidine.

Molecular Properties

Compound Name1,4-dimethyl-3-methylsulfanylpiperidine
PubChem CID123865415
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name1,4-dimethyl-3-methylsulfanylpiperidine
SMILESCSC1CN(C)CCC1C
InChIInChI=1S/C8H17NS/c1-7-4-5-9(2)6-8(7)10-3/h7-8H,4-6H2,1-3H3
InChIKeySFGIRTBUUANHNF-UHFFFAOYSA-N
XLogP1.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,4-dimethyl-3-methylsulfanylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,8-Dimethyl-1,3-dithia-8-aza-spiro[4.5]decane
CID 13690090
2,2-Diethyl-4-(prop-2-yn-1-yl)thiomorpholine
CID 130677352
2,2-Dimethyl-4-(3-methylbutyl)thiomorpholine
CID 130726719
(r,s)-3-Isopropylsulfanyl-1-methyl-piperidine
CID 15063103
1-Methylpiperidin-4-ylmethyl acetyl sulfide
CID 46909496
S-[(1,1-dimethylpiperidin-1-ium-4-yl)methyl] ethanethioate
CID 46909497
1-(Cyclopropylmethyl)-4-[(3-fluoro-3-methylbutyl)sulfanylmethyl]piperidine
CID 141780663
4-Ethyl-3,3-difluoro-1-methyl-4-methylsulfanylpiperidine
CID 169625564
1-(2-Propylsulfanylethynyl)piperidine
CID 13302075
3-Ethylsulfanyl-1-methylpiperidine
CID 15063101
1-(2-Propan-2-ylsulfanylethynyl)piperidine
CID 134921082
1-(2-Butylsulfanylethynyl)piperidine
CID 134987591

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3-methylsulfanylpiperidine?
The IUPAC name of 1,4-dimethyl-3-methylsulfanylpiperidine (CID 123865415) is 1,4-dimethyl-3-methylsulfanylpiperidine.
What is the SMILES notation for 1,4-dimethyl-3-methylsulfanylpiperidine?
The canonical SMILES for 1,4-dimethyl-3-methylsulfanylpiperidine is CSC1CN(C)CCC1C.
What is the InChIKey of 1,4-dimethyl-3-methylsulfanylpiperidine?
The InChIKey is SFGIRTBUUANHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-7-4-5-9(2)6-8(7)10-3/h7-8H,4-6H2,1-3H3.
What are the key properties of 1,4-dimethyl-3-methylsulfanylpiperidine?
1,4-dimethyl-3-methylsulfanylpiperidine has a molecular weight of 159.30 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3-methylsulfanylpiperidine is sourced from PubChem (CID 123865415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).