(4S)-4-methyl-4-propan-2-ylpiperidine-3-thiol

C9H19NS — CID 134386945

IUPAC(4S)-4-methyl-4-propan-2-ylpiperidine-3-thiol
SMILESCC(C)[C@]1(C)CCNCC1S
InChIInChI=1S/C9H19NS/c1-7(2)9(3)4-5-10-6-8(9)11/h7-8,10-11H,4-6H2,1-3H3/t8?,9-/m0/s1
InChIKeyJAXHSTHDUUSACL-GKAPJAKFSA-N
MW173.32 g/mol
LogP1.94
Rot. Bonds1

About (4S)-4-methyl-4-propan-2-ylpiperidine-3-thiol

(4S)-4-methyl-4-propan-2-ylpiperidine-3-thiol (PubChem CID 134386945) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is (4S)-4-methyl-4-propan-2-ylpiperidine-3-thiol.

Molecular Properties

Compound Name(4S)-4-methyl-4-propan-2-ylpiperidine-3-thiol
PubChem CID134386945
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name(4S)-4-methyl-4-propan-2-ylpiperidine-3-thiol
SMILESCC(C)[C@]1(C)CCNCC1S
InChIInChI=1S/C9H19NS/c1-7(2)9(3)4-5-10-6-8(9)11/h7-8,10-11H,4-6H2,1-3H3/t8?,9-/m0/s1
InChIKeyJAXHSTHDUUSACL-GKAPJAKFSA-N
XLogP1.94
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (4S)-4-methyl-4-propan-2-ylpiperidine-3-thiol 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

4-methyl-3,4-di(propan-2-yl)piperidine
CID 79320143
4-methyl-3-(2-methylpropyl)-4-propan-2-ylpiperidine
CID 79321482
3-cyclopentyl-4-methyl-4-propan-2-ylpiperidine
CID 112570765
3-(4-chlorophenyl)-4-methyl-4-propan-2-ylpiperidine
CID 79435538
3-(3-bromophenyl)-4-methyl-4-propan-2-ylpiperidine
CID 79430058
(3S)-3-methyl-3-propan-2-ylpiperidin-2-ol
CID 166749503
(3R,4S)-4-methylpiperidine-3,4-diol
CID 55285415
(4R)-3,4-dimethyl-3-propan-2-ylpyrrolidine
CID 135170137
(3S,4S)-3,4-dimethyl-3-propan-2-ylpyrrolidine
CID 118444596
1,4-dimethyl-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydro-1,7-naphthyridine
CID 144812705
(3R,4R)-4-amino-4-methylpiperidin-3-ol
CID 118248932
4,4-difluoro-3-propan-2-ylpiperidine
CID 84651634

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-4-propan-2-ylpiperidine-3-thiol?
The IUPAC name of (4S)-4-methyl-4-propan-2-ylpiperidine-3-thiol (CID 134386945) is (4S)-4-methyl-4-propan-2-ylpiperidine-3-thiol.
What is the SMILES notation for (4S)-4-methyl-4-propan-2-ylpiperidine-3-thiol?
The canonical SMILES for (4S)-4-methyl-4-propan-2-ylpiperidine-3-thiol is CC(C)[C@]1(C)CCNCC1S.
What is the InChIKey of (4S)-4-methyl-4-propan-2-ylpiperidine-3-thiol?
The InChIKey is JAXHSTHDUUSACL-GKAPJAKFSA-N. The full InChI is InChI=1S/C9H19NS/c1-7(2)9(3)4-5-10-6-8(9)11/h7-8,10-11H,4-6H2,1-3H3/t8?,9-/m0/s1.
What are the key properties of (4S)-4-methyl-4-propan-2-ylpiperidine-3-thiol?
(4S)-4-methyl-4-propan-2-ylpiperidine-3-thiol has a molecular weight of 173.32 g/mol, XLogP of 1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-4-propan-2-ylpiperidine-3-thiol is sourced from PubChem (CID 134386945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).