3-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]propanamide

C11H17N3O3S — CID 106996704

IUPAC3-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]propanamide
SMILESCc1cc(CN)ccc1S(=O)(=O)NCCC(N)=O
InChIInChI=1S/C11H17N3O3S/c1-8-6-9(7-12)2-3-10(8)18(16,17)14-5-4-11(13)15/h2-3,6,14H,4-5,7,12H2,1H3,(H2,13,15)
InChIKeyJPUQJQKFZQPLAM-UHFFFAOYSA-N
MW271.34 g/mol
LogP-0.39
Rot. Bonds6

About 3-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]propanamide

3-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]propanamide (PubChem CID 106996704) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]propanamide.

Molecular Properties

Compound Name3-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]propanamide
PubChem CID106996704
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name3-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]propanamide
SMILESCc1cc(CN)ccc1S(=O)(=O)NCCC(N)=O
InChIInChI=1S/C11H17N3O3S/c1-8-6-9(7-12)2-3-10(8)18(16,17)14-5-4-11(13)15/h2-3,6,14H,4-5,7,12H2,1H3,(H2,13,15)
InChIKeyJPUQJQKFZQPLAM-UHFFFAOYSA-N
XLogP-0.39
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]acetamide
CID 106996555
4-(aminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-2-methylbenzenesulfonamide
CID 106996912
3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]propanamide
CID 43553101
4-(aminomethyl)-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 106996804
4-(aminomethyl)-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 106997135
4-(aminomethyl)-2-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 106996929
2-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]-N-(2-methylpropyl)acetamide
CID 106997106
4-(aminomethyl)-2-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106996543
4-(aminomethyl)-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 106997096
4-[(5-amino-2-methylphenyl)sulfonylamino]butanamide
CID 60864084
4-(aminomethyl)-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 106996757
4-(aminomethyl)-2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 106997056

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]propanamide?
The IUPAC name of 3-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]propanamide (CID 106996704) is 3-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]propanamide.
What is the SMILES notation for 3-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]propanamide?
The canonical SMILES for 3-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]propanamide is Cc1cc(CN)ccc1S(=O)(=O)NCCC(N)=O.
What is the InChIKey of 3-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]propanamide?
The InChIKey is JPUQJQKFZQPLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-8-6-9(7-12)2-3-10(8)18(16,17)14-5-4-11(13)15/h2-3,6,14H,4-5,7,12H2,1H3,(H2,13,15).
What are the key properties of 3-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]propanamide?
3-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]propanamide has a molecular weight of 271.34 g/mol, XLogP of -0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]propanamide is sourced from PubChem (CID 106996704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).