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

C12H25NS — CID 83057094

IUPAC2-methyl-3-(2-propylpiperidin-1-yl)propane-1-thiol
SMILESCCCC1CCCCN1CC(C)CS
InChIInChI=1S/C12H25NS/c1-3-6-12-7-4-5-8-13(12)9-11(2)10-14/h11-12,14H,3-10H2,1-2H3
InChIKeyAMPKEAOCGRYKNX-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.21
Rot. Bonds5

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

2-methyl-3-(2-propylpiperidin-1-yl)propane-1-thiol (PubChem CID 83057094) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 2-methyl-3-(2-propylpiperidin-1-yl)propane-1-thiol.

Molecular Properties

Compound Name2-methyl-3-(2-propylpiperidin-1-yl)propane-1-thiol
PubChem CID83057094
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name2-methyl-3-(2-propylpiperidin-1-yl)propane-1-thiol
SMILESCCCC1CCCCN1CC(C)CS
InChIInChI=1S/C12H25NS/c1-3-6-12-7-4-5-8-13(12)9-11(2)10-14/h11-12,14H,3-10H2,1-2H3
InChIKeyAMPKEAOCGRYKNX-UHFFFAOYSA-N
XLogP3.21
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.21
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-methyl-4-(2-propylpiperidin-1-yl)butan-1-amine
CID 83055638
3,3-dimethyl-2-[(2-propylpiperidin-1-yl)methyl]butane-1-thiol
CID 83057463
N-[2-methyl-3-(2-propylpiperidin-1-yl)propyl]cyclopropanamine
CID 83062043
3,3-dimethyl-1-(2-propylpiperidin-1-yl)butan-2-ol
CID 83061736
6-(2-propylpiperidin-1-yl)hexane-1-thiol
CID 83057539
1-methoxy-3-(2-propylpiperidin-1-yl)propan-2-amine
CID 83055953
2-methoxy-3-(2-propylpiperidin-1-yl)propan-1-amine
CID 106114983
1-pentyl-2-propylpiperidine
CID 54429991
ethyl 2-(propan-2-ylamino)-3-(2-propylpiperidin-1-yl)propanoate
CID 83061902
1-ethyl-2-propylpyrrolidine;hydrofluoride
CID 175875195
ethane;1-ethyl-2-propylpyrrolidine
CID 143005022
1-methoxy-N-methyl-3-(2-propylpiperidin-1-yl)propan-2-amine
CID 107505926

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-propylpiperidin-1-yl)propane-1-thiol?
The IUPAC name of 2-methyl-3-(2-propylpiperidin-1-yl)propane-1-thiol (CID 83057094) is 2-methyl-3-(2-propylpiperidin-1-yl)propane-1-thiol.
What is the SMILES notation for 2-methyl-3-(2-propylpiperidin-1-yl)propane-1-thiol?
The canonical SMILES for 2-methyl-3-(2-propylpiperidin-1-yl)propane-1-thiol is CCCC1CCCCN1CC(C)CS.
What is the InChIKey of 2-methyl-3-(2-propylpiperidin-1-yl)propane-1-thiol?
The InChIKey is AMPKEAOCGRYKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-3-6-12-7-4-5-8-13(12)9-11(2)10-14/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 2-methyl-3-(2-propylpiperidin-1-yl)propane-1-thiol?
2-methyl-3-(2-propylpiperidin-1-yl)propane-1-thiol has a molecular weight of 215.41 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-propylpiperidin-1-yl)propane-1-thiol is sourced from PubChem (CID 83057094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).