[(3S)-3-(cyclopropylmethyl)-1-pyridin-3-ylsulfonylpiperidin-3-yl]methanol

C15H22N2O3S — CID 97130526

IUPAC[(3S)-3-(cyclopropylmethyl)-1-pyridin-3-ylsulfonylpiperidin-3-yl]methanol
SMILESO=S(=O)(c1cccnc1)N1CCC[C@](CO)(CC2CC2)C1
InChIInChI=1S/C15H22N2O3S/c18-12-15(9-13-4-5-13)6-2-8-17(11-15)21(19,20)14-3-1-7-16-10-14/h1,3,7,10,13,18H,2,4-6,8-9,11-12H2/t15-/m0/s1
InChIKeyVDWKRMLEXFTTNZ-HNNXBMFYSA-N
MW310.42 g/mol
LogP1.64
Rot. Bonds5

About [(3S)-3-(cyclopropylmethyl)-1-pyridin-3-ylsulfonylpiperidin-3-yl]methanol

[(3S)-3-(cyclopropylmethyl)-1-pyridin-3-ylsulfonylpiperidin-3-yl]methanol (PubChem CID 97130526) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is [(3S)-3-(cyclopropylmethyl)-1-pyridin-3-ylsulfonylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-3-(cyclopropylmethyl)-1-pyridin-3-ylsulfonylpiperidin-3-yl]methanol
PubChem CID97130526
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name[(3S)-3-(cyclopropylmethyl)-1-pyridin-3-ylsulfonylpiperidin-3-yl]methanol
SMILESO=S(=O)(c1cccnc1)N1CCC[C@](CO)(CC2CC2)C1
InChIInChI=1S/C15H22N2O3S/c18-12-15(9-13-4-5-13)6-2-8-17(11-15)21(19,20)14-3-1-7-16-10-14/h1,3,7,10,13,18H,2,4-6,8-9,11-12H2/t15-/m0/s1
InChIKeyVDWKRMLEXFTTNZ-HNNXBMFYSA-N
XLogP1.64
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane
CID 71871364
[1-(benzenesulfonyl)-3-prop-2-enylpiperidin-3-yl]methanol
CID 72844633
3-[4-(bromomethyl)piperidin-1-yl]sulfonylpyridine
CID 80668698
1-pyridin-3-ylsulfonylpiperidin-3-amine;dihydrochloride
CID 165437566
(1-pyridin-3-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119968968
7-cyclohexyl-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 72939411
4-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxylic acid
CID 63125638
3-(4-bromopiperidin-1-yl)sulfonylpyridine
CID 80672721
N-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63879976
(3R)-1-pyridin-3-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119962668
1-pyridin-3-ylsulfonylazetidin-3-ol
CID 63105318
3-[(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]pyridine
CID 166622070

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(cyclopropylmethyl)-1-pyridin-3-ylsulfonylpiperidin-3-yl]methanol?
The IUPAC name of [(3S)-3-(cyclopropylmethyl)-1-pyridin-3-ylsulfonylpiperidin-3-yl]methanol (CID 97130526) is [(3S)-3-(cyclopropylmethyl)-1-pyridin-3-ylsulfonylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-3-(cyclopropylmethyl)-1-pyridin-3-ylsulfonylpiperidin-3-yl]methanol?
The canonical SMILES for [(3S)-3-(cyclopropylmethyl)-1-pyridin-3-ylsulfonylpiperidin-3-yl]methanol is O=S(=O)(c1cccnc1)N1CCC[C@](CO)(CC2CC2)C1.
What is the InChIKey of [(3S)-3-(cyclopropylmethyl)-1-pyridin-3-ylsulfonylpiperidin-3-yl]methanol?
The InChIKey is VDWKRMLEXFTTNZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c18-12-15(9-13-4-5-13)6-2-8-17(11-15)21(19,20)14-3-1-7-16-10-14/h1,3,7,10,13,18H,2,4-6,8-9,11-12H2/t15-/m0/s1.
What are the key properties of [(3S)-3-(cyclopropylmethyl)-1-pyridin-3-ylsulfonylpiperidin-3-yl]methanol?
[(3S)-3-(cyclopropylmethyl)-1-pyridin-3-ylsulfonylpiperidin-3-yl]methanol has a molecular weight of 310.42 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(cyclopropylmethyl)-1-pyridin-3-ylsulfonylpiperidin-3-yl]methanol is sourced from PubChem (CID 97130526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).