(3S)-1-cyclobutyl-4-propan-2-ylpiperidine-3-thiol

C12H23NS — CID 134203220

IUPAC(3S)-1-cyclobutyl-4-propan-2-ylpiperidine-3-thiol
SMILESCC(C)C1CCN(C2CCC2)C[C@H]1S
InChIInChI=1S/C12H23NS/c1-9(2)11-6-7-13(8-12(11)14)10-4-3-5-10/h9-12,14H,3-8H2,1-2H3/t11?,12-/m1/s1
InChIKeyHMKMIHFAYRKEFY-PIJUOVFKSA-N
MW213.39 g/mol
LogP2.82
Rot. Bonds2

About (3S)-1-cyclobutyl-4-propan-2-ylpiperidine-3-thiol

(3S)-1-cyclobutyl-4-propan-2-ylpiperidine-3-thiol (PubChem CID 134203220) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is (3S)-1-cyclobutyl-4-propan-2-ylpiperidine-3-thiol.

Molecular Properties

Compound Name(3S)-1-cyclobutyl-4-propan-2-ylpiperidine-3-thiol
PubChem CID134203220
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC Name(3S)-1-cyclobutyl-4-propan-2-ylpiperidine-3-thiol
SMILESCC(C)C1CCN(C2CCC2)C[C@H]1S
InChIInChI=1S/C12H23NS/c1-9(2)11-6-7-13(8-12(11)14)10-4-3-5-10/h9-12,14H,3-8H2,1-2H3/t11?,12-/m1/s1
InChIKeyHMKMIHFAYRKEFY-PIJUOVFKSA-N
XLogP2.82
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-cyclobutyl-3-methyl-4-propan-2-ylpiperidine
CID 134195627
(3S,4S)-1-cyclopentyl-4-methyl-3-propan-2-ylpiperidine
CID 134195528
1-cyclopentylpyrrolidine-3-thiol
CID 18792683
2,3-di(propan-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 58450035
2-propan-2-ylcyclohexane-1-thiol
CID 44558420
(3R)-1-cyclopropyl-3-propan-2-ylpyrrolidine
CID 176871343
(3S)-1-cyclobutyl-3-methylpiperidine;2-methylpropane
CID 145118485
bis((3S,4R)-1-cyclobutyl-4-ethyl-3-propan-2-ylpiperidine);bis((3R,4R)-1-cyclobutyl-4-ethyl-3-propan-2-ylpiperidine);bis((3S,4R)-1-cyclobutyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine);bis((3R,4R)-1-cyclobutyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine);bis((3S,4R)-1-cyclobutyl-3-propan-2-yl-4-propylpiperidine);bis((3R,4R)-1-cyclobutyl-3-propan-2-yl-4-propylpiperidine)
CID 158296640
(3R)-1-cyclobutyl-4-[(2R)-1-[3-[(3R,4S)-4-[2-[3-[(3R)-3-(disulfanyl)-4-phenylpiperidin-1-yl]cyclobutyl]propan-2-yl]-3-propan-2-ylpiperidin-1-yl]cyclobutyl]propan-2-yl]piperidine-3-thiol
CID 134203211
1-cycloheptyl-3-propan-2-ylpiperidine
CID 163393179
N-[(1-cyclooctylpyrrolidin-3-yl)methyl]propan-2-amine
CID 55083195
1-(1-cyclooctylpyrrolidin-3-yl)ethanamine
CID 103975759

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclobutyl-4-propan-2-ylpiperidine-3-thiol?
The IUPAC name of (3S)-1-cyclobutyl-4-propan-2-ylpiperidine-3-thiol (CID 134203220) is (3S)-1-cyclobutyl-4-propan-2-ylpiperidine-3-thiol.
What is the SMILES notation for (3S)-1-cyclobutyl-4-propan-2-ylpiperidine-3-thiol?
The canonical SMILES for (3S)-1-cyclobutyl-4-propan-2-ylpiperidine-3-thiol is CC(C)C1CCN(C2CCC2)C[C@H]1S.
What is the InChIKey of (3S)-1-cyclobutyl-4-propan-2-ylpiperidine-3-thiol?
The InChIKey is HMKMIHFAYRKEFY-PIJUOVFKSA-N. The full InChI is InChI=1S/C12H23NS/c1-9(2)11-6-7-13(8-12(11)14)10-4-3-5-10/h9-12,14H,3-8H2,1-2H3/t11?,12-/m1/s1.
What are the key properties of (3S)-1-cyclobutyl-4-propan-2-ylpiperidine-3-thiol?
(3S)-1-cyclobutyl-4-propan-2-ylpiperidine-3-thiol has a molecular weight of 213.39 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclobutyl-4-propan-2-ylpiperidine-3-thiol is sourced from PubChem (CID 134203220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).