2-methyl-2-(1-methylpiperidin-3-yl)propane-1-thiol

C10H21NS — CID 116866531

IUPAC2-methyl-2-(1-methylpiperidin-3-yl)propane-1-thiol
SMILESCN1CCCC(C(C)(C)CS)C1
InChIInChI=1S/C10H21NS/c1-10(2,8-12)9-5-4-6-11(3)7-9/h9,12H,4-8H2,1-3H3
InChIKeyURJQOFJDXLTDFL-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.28
Rot. Bonds2

About 2-methyl-2-(1-methylpiperidin-3-yl)propane-1-thiol

2-methyl-2-(1-methylpiperidin-3-yl)propane-1-thiol (PubChem CID 116866531) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 2-methyl-2-(1-methylpiperidin-3-yl)propane-1-thiol.

Molecular Properties

Compound Name2-methyl-2-(1-methylpiperidin-3-yl)propane-1-thiol
PubChem CID116866531
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name2-methyl-2-(1-methylpiperidin-3-yl)propane-1-thiol
SMILESCN1CCCC(C(C)(C)CS)C1
InChIInChI=1S/C10H21NS/c1-10(2,8-12)9-5-4-6-11(3)7-9/h9,12H,4-8H2,1-3H3
InChIKeyURJQOFJDXLTDFL-UHFFFAOYSA-N
XLogP2.28
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.28
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

3-[2,4-dimethyl-4-(oxiran-2-yl)pentan-2-yl]-1-methylpiperidine
CID 170290565
(3S)-3-tert-butyl-1-methylpiperidine
CID 129190972
2,2,3,5-tetramethyl-5-(1-methylpiperidin-3-yl)hexan-3-amine
CID 146366488
[2-methyl-2-(1-methylpiperidin-3-yl)propyl]carbamothioic S-acid
CID 115170602
N-(chloromethyl)-2-methyl-2-(1-methylpiperidin-3-yl)propan-1-amine
CID 115263731
N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]acetamide
CID 115191508
4-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]cyclohexane-1,4-diamine
CID 115149957
2-hydroxy-2-methyl-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]propanamide
CID 115179064
1-methyl-3-(2-methylbutan-2-yl)pyrrolidine
CID 129106499
3-methyl-2-[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]butan-1-ol
CID 115137861
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-2-(1-methylpiperidin-3-yl)propan-1-amine
CID 115244469
2-(cyclopropylamino)-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]acetamide
CID 115158615

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1-methylpiperidin-3-yl)propane-1-thiol?
The IUPAC name of 2-methyl-2-(1-methylpiperidin-3-yl)propane-1-thiol (CID 116866531) is 2-methyl-2-(1-methylpiperidin-3-yl)propane-1-thiol.
What is the SMILES notation for 2-methyl-2-(1-methylpiperidin-3-yl)propane-1-thiol?
The canonical SMILES for 2-methyl-2-(1-methylpiperidin-3-yl)propane-1-thiol is CN1CCCC(C(C)(C)CS)C1.
What is the InChIKey of 2-methyl-2-(1-methylpiperidin-3-yl)propane-1-thiol?
The InChIKey is URJQOFJDXLTDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-10(2,8-12)9-5-4-6-11(3)7-9/h9,12H,4-8H2,1-3H3.
What are the key properties of 2-methyl-2-(1-methylpiperidin-3-yl)propane-1-thiol?
2-methyl-2-(1-methylpiperidin-3-yl)propane-1-thiol has a molecular weight of 187.35 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1-methylpiperidin-3-yl)propane-1-thiol is sourced from PubChem (CID 116866531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).