3-[4-(2-methylpiperidin-1-yl)sulfonylanilino]propane-1,2-diol

C15H24N2O4S — CID 168595112

IUPAC3-[4-(2-methylpiperidin-1-yl)sulfonylanilino]propane-1,2-diol
SMILESCC1CCCCN1S(=O)(=O)c1ccc(NCC(O)CO)cc1
InChIInChI=1S/C15H24N2O4S/c1-12-4-2-3-9-17(12)22(20,21)15-7-5-13(6-8-15)16-10-14(19)11-18/h5-8,12,14,16,18-19H,2-4,9-11H2,1H3
InChIKeyJFFNNOKZOUWEDF-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.01
Rot. Bonds6

About 3-[4-(2-methylpiperidin-1-yl)sulfonylanilino]propane-1,2-diol

3-[4-(2-methylpiperidin-1-yl)sulfonylanilino]propane-1,2-diol (PubChem CID 168595112) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is 3-[4-(2-methylpiperidin-1-yl)sulfonylanilino]propane-1,2-diol.

Molecular Properties

Compound Name3-[4-(2-methylpiperidin-1-yl)sulfonylanilino]propane-1,2-diol
PubChem CID168595112
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name3-[4-(2-methylpiperidin-1-yl)sulfonylanilino]propane-1,2-diol
SMILESCC1CCCCN1S(=O)(=O)c1ccc(NCC(O)CO)cc1
InChIInChI=1S/C15H24N2O4S/c1-12-4-2-3-9-17(12)22(20,21)15-7-5-13(6-8-15)16-10-14(19)11-18/h5-8,12,14,16,18-19H,2-4,9-11H2,1H3
InChIKeyJFFNNOKZOUWEDF-UHFFFAOYSA-N
XLogP1.01
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[4-(2-methylpiperidin-1-yl)sulfonylanilino]propane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-heptyl-4-(2-methylpiperidin-1-yl)sulfonylaniline
CID 110826925
N-[(2-methylphenyl)methyl]-4-(2-methylpiperidin-1-yl)sulfonylaniline
CID 110827326
1-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-3-propan-2-ylthiourea
CID 27519312
methyl 4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 787656
(2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 1168281
1-(4-methylphenyl)-3-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]thiourea
CID 27522605
(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
CID 668791
1-(4-ethylphenyl)-3-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]thiourea
CID 27525385
N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pentanamide
CID 17217685
N-methyl-2-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenoxy]acetamide
CID 100814362
2,5-difluoro-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 19684545
2-(4-chlorophenyl)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 19114634

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylpiperidin-1-yl)sulfonylanilino]propane-1,2-diol?
The IUPAC name of 3-[4-(2-methylpiperidin-1-yl)sulfonylanilino]propane-1,2-diol (CID 168595112) is 3-[4-(2-methylpiperidin-1-yl)sulfonylanilino]propane-1,2-diol.
What is the SMILES notation for 3-[4-(2-methylpiperidin-1-yl)sulfonylanilino]propane-1,2-diol?
The canonical SMILES for 3-[4-(2-methylpiperidin-1-yl)sulfonylanilino]propane-1,2-diol is CC1CCCCN1S(=O)(=O)c1ccc(NCC(O)CO)cc1.
What is the InChIKey of 3-[4-(2-methylpiperidin-1-yl)sulfonylanilino]propane-1,2-diol?
The InChIKey is JFFNNOKZOUWEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-12-4-2-3-9-17(12)22(20,21)15-7-5-13(6-8-15)16-10-14(19)11-18/h5-8,12,14,16,18-19H,2-4,9-11H2,1H3.
What are the key properties of 3-[4-(2-methylpiperidin-1-yl)sulfonylanilino]propane-1,2-diol?
3-[4-(2-methylpiperidin-1-yl)sulfonylanilino]propane-1,2-diol has a molecular weight of 328.43 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylpiperidin-1-yl)sulfonylanilino]propane-1,2-diol is sourced from PubChem (CID 168595112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).