2-(4-methylpiperidin-1-yl)propane-1-thiol

C9H19NS — CID 174269339

IUPAC2-(4-methylpiperidin-1-yl)propane-1-thiol
SMILESCC1CCN(C(C)CS)CC1
InChIInChI=1S/C9H19NS/c1-8-3-5-10(6-4-8)9(2)7-11/h8-9,11H,3-7H2,1-2H3
InChIKeyHHDUEIWVFNOKNE-UHFFFAOYSA-N
MW173.33 g/mol
LogP2.04
Rot. Bonds2

About 2-(4-methylpiperidin-1-yl)propane-1-thiol

2-(4-methylpiperidin-1-yl)propane-1-thiol (PubChem CID 174269339) has the molecular formula C9H19NS and a molecular weight of 173.33 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)propane-1-thiol.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)propane-1-thiol
PubChem CID174269339
Molecular FormulaC9H19NS
Molecular Weight173.33 g/mol
Exact Mass173.12
IUPAC Name2-(4-methylpiperidin-1-yl)propane-1-thiol
SMILESCC1CCN(C(C)CS)CC1
InChIInChI=1S/C9H19NS/c1-8-3-5-10(6-4-8)9(2)7-11/h8-9,11H,3-7H2,1-2H3
InChIKeyHHDUEIWVFNOKNE-UHFFFAOYSA-N
XLogP2.04
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.33
LogP ≤ 52.04
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

N-methyl-3-(4-methylpiperidin-1-yl)butan-1-amine
CID 62438267
N-[2-(4-methylazepan-1-yl)propyl]cyclopropanamine
CID 63625080
2-(4-methylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine
CID 62556941
1-(1,1-difluoropropan-2-yl)-4-methylpiperidine
CID 126716416
4-methyl-1-propan-2-ylpiperidine;sulfur dioxide
CID 161459747
N-[2-(4-methylazepan-1-yl)propyl]cyclohexanamine
CID 63627376
4-methyl-N'-[2-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 110920423
1-amino-3-(4-methylpiperidin-1-yl)butan-2-ol
CID 164661529
3-(3-methylpyrrolidin-1-yl)butan-1-amine
CID 61224022
ethane;4-methyl-1-propan-2-ylazepane
CID 144749711
2-(methylamino)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide
CID 120704077
4-methyl-2-(4-methylpiperidin-1-yl)pentan-1-amine
CID 16783937

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)propane-1-thiol?
The IUPAC name of 2-(4-methylpiperidin-1-yl)propane-1-thiol (CID 174269339) is 2-(4-methylpiperidin-1-yl)propane-1-thiol.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)propane-1-thiol?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)propane-1-thiol is CC1CCN(C(C)CS)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)propane-1-thiol?
The InChIKey is HHDUEIWVFNOKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-8-3-5-10(6-4-8)9(2)7-11/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 2-(4-methylpiperidin-1-yl)propane-1-thiol?
2-(4-methylpiperidin-1-yl)propane-1-thiol has a molecular weight of 173.33 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)propane-1-thiol is sourced from PubChem (CID 174269339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).