[1-(benzenesulfonyl)-4-[(dimethylamino)methyl]piperidin-4-yl]methanol

C15H24N2O3S — CID 137334939

IUPAC[1-(benzenesulfonyl)-4-[(dimethylamino)methyl]piperidin-4-yl]methanol
SMILESCN(C)CC1(CO)CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H24N2O3S/c1-16(2)12-15(13-18)8-10-17(11-9-15)21(19,20)14-6-4-3-5-7-14/h3-7,18H,8-13H2,1-2H3
InChIKeyMNVWLSMFSUSDPT-UHFFFAOYSA-N
MW312.43 g/mol
LogP1.01
Rot. Bonds5

About [1-(benzenesulfonyl)-4-[(dimethylamino)methyl]piperidin-4-yl]methanol

[1-(benzenesulfonyl)-4-[(dimethylamino)methyl]piperidin-4-yl]methanol (PubChem CID 137334939) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-4-[(dimethylamino)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-4-[(dimethylamino)methyl]piperidin-4-yl]methanol
PubChem CID137334939
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name[1-(benzenesulfonyl)-4-[(dimethylamino)methyl]piperidin-4-yl]methanol
SMILESCN(C)CC1(CO)CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H24N2O3S/c1-16(2)12-15(13-18)8-10-17(11-9-15)21(19,20)14-6-4-3-5-7-14/h3-7,18H,8-13H2,1-2H3
InChIKeyMNVWLSMFSUSDPT-UHFFFAOYSA-N
XLogP1.01
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(dimethylamino)methyl]-1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]methanol
CID 137339136
[1-(4-butylphenyl)sulfonyl-4-[(dimethylamino)methyl]piperidin-4-yl]methanol
CID 137336937
2-[4-[(dimethylamino)methyl]-4-(hydroxymethyl)piperidin-1-yl]sulfonylbenzonitrile
CID 137340198
[4-[(dimethylamino)methyl]-1-(6-methoxynaphthalen-2-yl)sulfonylpiperidin-4-yl]methanol
CID 137335716
1-(benzenesulfonyl)-4,4-dimethylpiperidine
CID 58376409
1-(benzenesulfonyl)-4-methylazepan-4-ol
CID 107407045
4-(benzenesulfonyl)-N,N-dimethyl-1,4-diazepane-1-sulfonamide
CID 110799693
4-anilino-1-(benzenesulfonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 155878899
1-(benzenesulfonyl)-3,3-dimethylpyrrolidine
CID 13427462
7-(benzenesulfonyl)-2-oxa-7-azaspiro[3.5]nonane
CID 97399392
(3R)-1-(4-chlorophenyl)sulfonyl-3-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 125020513
(3S,4R)-1-(benzenesulfonyl)-3-benzyl-4-methylpiperidin-4-ol
CID 56751913

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-4-[(dimethylamino)methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-(benzenesulfonyl)-4-[(dimethylamino)methyl]piperidin-4-yl]methanol (CID 137334939) is [1-(benzenesulfonyl)-4-[(dimethylamino)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-(benzenesulfonyl)-4-[(dimethylamino)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-(benzenesulfonyl)-4-[(dimethylamino)methyl]piperidin-4-yl]methanol is CN(C)CC1(CO)CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of [1-(benzenesulfonyl)-4-[(dimethylamino)methyl]piperidin-4-yl]methanol?
The InChIKey is MNVWLSMFSUSDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-16(2)12-15(13-18)8-10-17(11-9-15)21(19,20)14-6-4-3-5-7-14/h3-7,18H,8-13H2,1-2H3.
What are the key properties of [1-(benzenesulfonyl)-4-[(dimethylamino)methyl]piperidin-4-yl]methanol?
[1-(benzenesulfonyl)-4-[(dimethylamino)methyl]piperidin-4-yl]methanol has a molecular weight of 312.43 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-4-[(dimethylamino)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 137334939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).