5-amino-N-methyl-2-[(1-methylpiperidin-2-yl)methylamino]benzenesulfonamide

C14H24N4O2S — CID 103286939

IUPAC5-amino-N-methyl-2-[(1-methylpiperidin-2-yl)methylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1NCC1CCCCN1C
InChIInChI=1S/C14H24N4O2S/c1-16-21(19,20)14-9-11(15)6-7-13(14)17-10-12-5-3-4-8-18(12)2/h6-7,9,12,16-17H,3-5,8,10,15H2,1-2H3
InChIKeyBDFATTWYMFBBPO-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.07
Rot. Bonds5

About 5-amino-N-methyl-2-[(1-methylpiperidin-2-yl)methylamino]benzenesulfonamide

5-amino-N-methyl-2-[(1-methylpiperidin-2-yl)methylamino]benzenesulfonamide (PubChem CID 103286939) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 5-amino-N-methyl-2-[(1-methylpiperidin-2-yl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-methyl-2-[(1-methylpiperidin-2-yl)methylamino]benzenesulfonamide
PubChem CID103286939
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name5-amino-N-methyl-2-[(1-methylpiperidin-2-yl)methylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1NCC1CCCCN1C
InChIInChI=1S/C14H24N4O2S/c1-16-21(19,20)14-9-11(15)6-7-13(14)17-10-12-5-3-4-8-18(12)2/h6-7,9,12,16-17H,3-5,8,10,15H2,1-2H3
InChIKeyBDFATTWYMFBBPO-UHFFFAOYSA-N
XLogP1.07
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-methyl-2-[(2-methylcyclopropyl)methylamino]benzenesulfonamide
CID 103287354
5-amino-2-[(3-hydroxycyclobutyl)methylamino]-N-methylbenzenesulfonamide
CID 103287162
1-N-[(1-methylpiperidin-2-yl)methyl]-3-methylsulfonylbenzene-1,2-diamine
CID 82003046
4-chloro-2-fluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62658635
5-amino-N-methyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzenesulfonamide
CID 106252171
3-chloro-4-[(1-methylpiperidin-2-yl)methylamino]benzoic acid
CID 55181036
[3-amino-4-[(1-methylpiperidin-2-yl)methylamino]phenyl] N-methylcarbamate
CID 91003897
2,4-dibromo-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 63427545
2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 63898603
3-methyl-4-[(1-methylpiperidin-2-yl)methylamino]benzamide
CID 62656714
4-iodo-2-methyl-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 55099801
2-amino-3-[(1-methylpyrrolidin-2-yl)methylamino]benzenesulfonamide
CID 106022809

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-2-[(1-methylpiperidin-2-yl)methylamino]benzenesulfonamide?
The IUPAC name of 5-amino-N-methyl-2-[(1-methylpiperidin-2-yl)methylamino]benzenesulfonamide (CID 103286939) is 5-amino-N-methyl-2-[(1-methylpiperidin-2-yl)methylamino]benzenesulfonamide.
What is the SMILES notation for 5-amino-N-methyl-2-[(1-methylpiperidin-2-yl)methylamino]benzenesulfonamide?
The canonical SMILES for 5-amino-N-methyl-2-[(1-methylpiperidin-2-yl)methylamino]benzenesulfonamide is CNS(=O)(=O)c1cc(N)ccc1NCC1CCCCN1C.
What is the InChIKey of 5-amino-N-methyl-2-[(1-methylpiperidin-2-yl)methylamino]benzenesulfonamide?
The InChIKey is BDFATTWYMFBBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-16-21(19,20)14-9-11(15)6-7-13(14)17-10-12-5-3-4-8-18(12)2/h6-7,9,12,16-17H,3-5,8,10,15H2,1-2H3.
What are the key properties of 5-amino-N-methyl-2-[(1-methylpiperidin-2-yl)methylamino]benzenesulfonamide?
5-amino-N-methyl-2-[(1-methylpiperidin-2-yl)methylamino]benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-2-[(1-methylpiperidin-2-yl)methylamino]benzenesulfonamide is sourced from PubChem (CID 103286939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).