4-tert-butylsulfanyl-1-methylpiperidine

C10H21NS — CID 59598791

IUPAC4-tert-butylsulfanyl-1-methylpiperidine
SMILESCN1CCC(SC(C)(C)C)CC1
InChIInChI=1S/C10H21NS/c1-10(2,3)12-9-5-7-11(4)8-6-9/h9H,5-8H2,1-4H3
InChIKeyGVTRBKVOSNJTRV-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.61
Rot. Bonds1

About 4-tert-butylsulfanyl-1-methylpiperidine

4-tert-butylsulfanyl-1-methylpiperidine (PubChem CID 59598791) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 4-tert-butylsulfanyl-1-methylpiperidine.

Molecular Properties

Compound Name4-tert-butylsulfanyl-1-methylpiperidine
PubChem CID59598791
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name4-tert-butylsulfanyl-1-methylpiperidine
SMILESCN1CCC(SC(C)(C)C)CC1
InChIInChI=1S/C10H21NS/c1-10(2,3)12-9-5-7-11(4)8-6-9/h9H,5-8H2,1-4H3
InChIKeyGVTRBKVOSNJTRV-UHFFFAOYSA-N
XLogP2.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-tert-butylsulfanyl-1-methylpiperidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylsulfanyl-1-methylpiperidine?
The IUPAC name of 4-tert-butylsulfanyl-1-methylpiperidine (CID 59598791) is 4-tert-butylsulfanyl-1-methylpiperidine.
What is the SMILES notation for 4-tert-butylsulfanyl-1-methylpiperidine?
The canonical SMILES for 4-tert-butylsulfanyl-1-methylpiperidine is CN1CCC(SC(C)(C)C)CC1.
What is the InChIKey of 4-tert-butylsulfanyl-1-methylpiperidine?
The InChIKey is GVTRBKVOSNJTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-10(2,3)12-9-5-7-11(4)8-6-9/h9H,5-8H2,1-4H3.
What are the key properties of 4-tert-butylsulfanyl-1-methylpiperidine?
4-tert-butylsulfanyl-1-methylpiperidine has a molecular weight of 187.35 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylsulfanyl-1-methylpiperidine is sourced from PubChem (CID 59598791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).