4-[(piperidin-3-ylmethylamino)methyl]benzenesulfonamide

C13H21N3O2S — CID 80553043

IUPAC4-[(piperidin-3-ylmethylamino)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNCC2CCCNC2)cc1
InChIInChI=1S/C13H21N3O2S/c14-19(17,18)13-5-3-11(4-6-13)8-16-10-12-2-1-7-15-9-12/h3-6,12,15-16H,1-2,7-10H2,(H2,14,17,18)
InChIKeyFCMJAZRVUNSDNB-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.42
Rot. Bonds5

About 4-[(piperidin-3-ylmethylamino)methyl]benzenesulfonamide

4-[(piperidin-3-ylmethylamino)methyl]benzenesulfonamide (PubChem CID 80553043) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 4-[(piperidin-3-ylmethylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(piperidin-3-ylmethylamino)methyl]benzenesulfonamide
PubChem CID80553043
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name4-[(piperidin-3-ylmethylamino)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNCC2CCCNC2)cc1
InChIInChI=1S/C13H21N3O2S/c14-19(17,18)13-5-3-11(4-6-13)8-16-10-12-2-1-7-15-9-12/h3-6,12,15-16H,1-2,7-10H2,(H2,14,17,18)
InChIKeyFCMJAZRVUNSDNB-UHFFFAOYSA-N
XLogP0.42
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine
CID 80553020
4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenesulfonamide
CID 62655230
1-piperidin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine
CID 83962741
N-ethyl-N-[[4-[(piperidin-3-ylmethylamino)methyl]phenyl]methyl]ethanamine
CID 80553737
3-bromo-4-(piperidin-3-ylmethylamino)benzenesulfonamide
CID 80554293
N-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine
CID 97163567
N-[(6-chloro-3-pyridinyl)methyl]-1-[(3R)-piperidin-3-yl]methanamine
CID 97163566
3-[(piperidin-3-ylmethylamino)methyl]benzamide
CID 80553685
N-benzyl-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 10726362
N-[(3-chlorophenyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine
CID 95731896
N-(piperidin-3-ylmethyl)-4-propylbenzenesulfonamide
CID 61070409
3-cyclohexyl-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 2431253

Frequently Asked Questions

What is the IUPAC name of 4-[(piperidin-3-ylmethylamino)methyl]benzenesulfonamide?
The IUPAC name of 4-[(piperidin-3-ylmethylamino)methyl]benzenesulfonamide (CID 80553043) is 4-[(piperidin-3-ylmethylamino)methyl]benzenesulfonamide.
What is the SMILES notation for 4-[(piperidin-3-ylmethylamino)methyl]benzenesulfonamide?
The canonical SMILES for 4-[(piperidin-3-ylmethylamino)methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CNCC2CCCNC2)cc1.
What is the InChIKey of 4-[(piperidin-3-ylmethylamino)methyl]benzenesulfonamide?
The InChIKey is FCMJAZRVUNSDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c14-19(17,18)13-5-3-11(4-6-13)8-16-10-12-2-1-7-15-9-12/h3-6,12,15-16H,1-2,7-10H2,(H2,14,17,18).
What are the key properties of 4-[(piperidin-3-ylmethylamino)methyl]benzenesulfonamide?
4-[(piperidin-3-ylmethylamino)methyl]benzenesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(piperidin-3-ylmethylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 80553043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).