2-[(3S)-pyrrolidin-3-yl]propan-2-ol;sulfane

C7H17NOS — CID 160675736

IUPAC2-[(3S)-pyrrolidin-3-yl]propan-2-ol;sulfane
SMILESCC(C)(O)[C@H]1CCNC1.S
InChIInChI=1S/C7H15NO.H2S/c1-7(2,9)6-3-4-8-5-6;/h6,8-9H,3-5H2,1-2H3;1H2/t6-;/m0./s1
InChIKeyRNMQVEBQKKJQGN-RGMNGODLSA-N
MW163.29 g/mol
LogP0.48
Rot. Bonds1

About 2-[(3S)-pyrrolidin-3-yl]propan-2-ol;sulfane

2-[(3S)-pyrrolidin-3-yl]propan-2-ol;sulfane (PubChem CID 160675736) has the molecular formula C7H17NOS and a molecular weight of 163.29 g/mol. Its IUPAC name is 2-[(3S)-pyrrolidin-3-yl]propan-2-ol;sulfane.

Molecular Properties

Compound Name2-[(3S)-pyrrolidin-3-yl]propan-2-ol;sulfane
PubChem CID160675736
Molecular FormulaC7H17NOS
Molecular Weight163.29 g/mol
Exact Mass163.10
IUPAC Name2-[(3S)-pyrrolidin-3-yl]propan-2-ol;sulfane
SMILESCC(C)(O)[C@H]1CCNC1.S
InChIInChI=1S/C7H15NO.H2S/c1-7(2,9)6-3-4-8-5-6;/h6,8-9H,3-5H2,1-2H3;1H2/t6-;/m0./s1
InChIKeyRNMQVEBQKKJQGN-RGMNGODLSA-N
XLogP0.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.29
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-pyrrolidin-3-ylbutan-2-ol
CID 105428542
(3R)-3-(1,1-difluoroethyl)pyrrolidine
CID 154810011
2-[(3S,5R)-5-(2-hydroxypropan-2-yl)piperidin-3-yl]propan-2-ol
CID 171842845
4-amino-3,3-dimethyl-2-pyrrolidin-3-ylbutan-2-ol
CID 127016501
2-methyl-2-pyrrolidin-3-ylpropanoic acid
CID 82652022
2-methyl-2-pyrrolidin-3-ylpropanamide;hydrochloride
CID 118918407
1-(2-methylphenyl)-1-pyrrolidin-3-ylethanol
CID 105457980
1-butoxy-2-[(3R)-pyrrolidin-3-yl]propan-2-ol
CID 66758977
2-piperidin-3-ylbutan-2-ol
CID 63586087
1-cycloheptyl-1-piperidin-3-ylethanol
CID 82929213
(2S)-2-[(3R)-piperidin-3-yl]propane-1,2-diol
CID 171842996
3-(1,1-difluoro-3,3-dimethylbutyl)pyrrolidine
CID 115058342

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-pyrrolidin-3-yl]propan-2-ol;sulfane?
The IUPAC name of 2-[(3S)-pyrrolidin-3-yl]propan-2-ol;sulfane (CID 160675736) is 2-[(3S)-pyrrolidin-3-yl]propan-2-ol;sulfane.
What is the SMILES notation for 2-[(3S)-pyrrolidin-3-yl]propan-2-ol;sulfane?
The canonical SMILES for 2-[(3S)-pyrrolidin-3-yl]propan-2-ol;sulfane is CC(C)(O)[C@H]1CCNC1.S.
What is the InChIKey of 2-[(3S)-pyrrolidin-3-yl]propan-2-ol;sulfane?
The InChIKey is RNMQVEBQKKJQGN-RGMNGODLSA-N. The full InChI is InChI=1S/C7H15NO.H2S/c1-7(2,9)6-3-4-8-5-6;/h6,8-9H,3-5H2,1-2H3;1H2/t6-;/m0./s1.
What are the key properties of 2-[(3S)-pyrrolidin-3-yl]propan-2-ol;sulfane?
2-[(3S)-pyrrolidin-3-yl]propan-2-ol;sulfane has a molecular weight of 163.29 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-pyrrolidin-3-yl]propan-2-ol;sulfane is sourced from PubChem (CID 160675736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).