2-methyl-1-(3-sulfanylpropyl)piperidin-3-ol

C9H19NOS — CID 130785480

IUPAC2-methyl-1-(3-sulfanylpropyl)piperidin-3-ol
SMILESCC1C(O)CCCN1CCCS
InChIInChI=1S/C9H19NOS/c1-8-9(11)4-2-5-10(8)6-3-7-12/h8-9,11-12H,2-7H2,1H3
InChIKeyRVGWBAGLNFKLLT-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.15
Rot. Bonds3

About 2-methyl-1-(3-sulfanylpropyl)piperidin-3-ol

2-methyl-1-(3-sulfanylpropyl)piperidin-3-ol (PubChem CID 130785480) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 2-methyl-1-(3-sulfanylpropyl)piperidin-3-ol.

Molecular Properties

Compound Name2-methyl-1-(3-sulfanylpropyl)piperidin-3-ol
PubChem CID130785480
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name2-methyl-1-(3-sulfanylpropyl)piperidin-3-ol
SMILESCC1C(O)CCCN1CCCS
InChIInChI=1S/C9H19NOS/c1-8-9(11)4-2-5-10(8)6-3-7-12/h8-9,11-12H,2-7H2,1H3
InChIKeyRVGWBAGLNFKLLT-UHFFFAOYSA-N
XLogP1.15
TPSA23.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(Propan-2-yl)piperidin-3-ol
CID 12689964
(3R,4S)-4-fluoro-1-(1-sulfanylpropan-2-yl)piperidin-3-ol
CID 156171979
(3R,4R)-4-fluoro-1-(1-sulfanylpropan-2-yl)piperidin-3-ol
CID 156171981
1-Ethyl-6-methyl-3-piperidinol
CID 581770
1-Butan-2-ylpiperidin-3-ol
CID 21702760
1-(3-Methyl-1-sulfanylnonan-5-yl)piperidin-3-ol
CID 53801802
1-(4,4-Dimethyl-6-sulfanylhexan-3-yl)piperidin-3-ol
CID 54177806
(3S)-1-propan-2-ylpiperidin-3-ol
CID 59151885
(3R)-1-propan-2-ylpiperidin-3-ol
CID 60091531
1-Pentan-3-ylpiperidin-3-ol
CID 80100083
1-Pentan-2-ylpiperidin-3-ol
CID 103723460
(3S)-1-butan-2-ylpiperidin-3-ol
CID 107225835

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-sulfanylpropyl)piperidin-3-ol?
The IUPAC name of 2-methyl-1-(3-sulfanylpropyl)piperidin-3-ol (CID 130785480) is 2-methyl-1-(3-sulfanylpropyl)piperidin-3-ol.
What is the SMILES notation for 2-methyl-1-(3-sulfanylpropyl)piperidin-3-ol?
The canonical SMILES for 2-methyl-1-(3-sulfanylpropyl)piperidin-3-ol is CC1C(O)CCCN1CCCS.
What is the InChIKey of 2-methyl-1-(3-sulfanylpropyl)piperidin-3-ol?
The InChIKey is RVGWBAGLNFKLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-8-9(11)4-2-5-10(8)6-3-7-12/h8-9,11-12H,2-7H2,1H3.
What are the key properties of 2-methyl-1-(3-sulfanylpropyl)piperidin-3-ol?
2-methyl-1-(3-sulfanylpropyl)piperidin-3-ol has a molecular weight of 189.32 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-sulfanylpropyl)piperidin-3-ol is sourced from PubChem (CID 130785480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).