2-amino-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenesulfonamide

C14H24N4O2S — CID 79467123

IUPAC2-amino-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenesulfonamide
SMILESCN1CCC(CN(C)c2ccc(S(N)(=O)=O)c(N)c2)CC1
InChIInChI=1S/C14H24N4O2S/c1-17-7-5-11(6-8-17)10-18(2)12-3-4-14(13(15)9-12)21(16,19)20/h3-4,9,11H,5-8,10,15H2,1-2H3,(H2,16,19,20)
InChIKeyMSYXUGHDJNPWBW-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.69
Rot. Bonds4

About 2-amino-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenesulfonamide

2-amino-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenesulfonamide (PubChem CID 79467123) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-amino-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenesulfonamide
PubChem CID79467123
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name2-amino-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenesulfonamide
SMILESCN1CCC(CN(C)c2ccc(S(N)(=O)=O)c(N)c2)CC1
InChIInChI=1S/C14H24N4O2S/c1-17-7-5-11(6-8-17)10-18(2)12-3-4-14(13(15)9-12)21(16,19)20/h3-4,9,11H,5-8,10,15H2,1-2H3,(H2,16,19,20)
InChIKeyMSYXUGHDJNPWBW-UHFFFAOYSA-N
XLogP0.69
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzenesulfonamide
CID 80642598
2-amino-4-[cyclobutylmethyl(ethyl)amino]benzenesulfonamide
CID 107397185
2-amino-N-methyl-4-[methyl(oxan-4-ylmethyl)amino]benzenesulfonamide
CID 80640873
N,3-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-4-nitroaniline
CID 133288077
2-amino-4-(dimethylamino)benzenesulfonamide
CID 79466326
2-amino-4-[methyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide
CID 79466601
4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 63276067
4-(1-aminoethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 63236717
5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-nitrobenzonitrile
CID 115501202
2-bromo-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide
CID 107279306
2-amino-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]benzenesulfonamide
CID 114947722
4-(2-aminopropyl)-N,3-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 63793652

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenesulfonamide?
The IUPAC name of 2-amino-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenesulfonamide (CID 79467123) is 2-amino-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenesulfonamide.
What is the SMILES notation for 2-amino-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenesulfonamide?
The canonical SMILES for 2-amino-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenesulfonamide is CN1CCC(CN(C)c2ccc(S(N)(=O)=O)c(N)c2)CC1.
What is the InChIKey of 2-amino-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenesulfonamide?
The InChIKey is MSYXUGHDJNPWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-17-7-5-11(6-8-17)10-18(2)12-3-4-14(13(15)9-12)21(16,19)20/h3-4,9,11H,5-8,10,15H2,1-2H3,(H2,16,19,20).
What are the key properties of 2-amino-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenesulfonamide?
2-amino-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenesulfonamide is sourced from PubChem (CID 79467123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).