N-(3-aminobutyl)-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide

C12H20N4O3S — CID 119495672

IUPACN-(3-aminobutyl)-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
SMILESCC(N)CCNC(=O)CN(C)S(=O)(=O)c1cccnc1
InChIInChI=1S/C12H20N4O3S/c1-10(13)5-7-15-12(17)9-16(2)20(18,19)11-4-3-6-14-8-11/h3-4,6,8,10H,5,7,9,13H2,1-2H3,(H,15,17)
InChIKeyQBUCWAKPBFQTBX-UHFFFAOYSA-N
MW300.38 g/mol
LogP-0.44
Rot. Bonds7

About N-(3-aminobutyl)-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide

N-(3-aminobutyl)-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide (PubChem CID 119495672) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
PubChem CID119495672
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC NameN-(3-aminobutyl)-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
SMILESCC(N)CCNC(=O)CN(C)S(=O)(=O)c1cccnc1
InChIInChI=1S/C12H20N4O3S/c1-10(13)5-7-15-12(17)9-16(2)20(18,19)11-4-3-6-14-8-11/h3-4,6,8,10H,5,7,9,13H2,1-2H3,(H,15,17)
InChIKeyQBUCWAKPBFQTBX-UHFFFAOYSA-N
XLogP-0.44
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-aminobutyl)-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide 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

4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]butanoic acid
CID 119352881
N-[2-(methylamino)propyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide;dihydrochloride
CID 120830025
2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 47029650
2-[2-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]ethylsulfanyl]acetic acid
CID 120526439
N-[2-(2-methoxyphenyl)ethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55666194
(2R)-3-methyl-2-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]butanoic acid
CID 119369262
2-methyl-N-[4-[[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]methyl]phenyl]propanamide
CID 55670864
N-(3-aminobutyl)-2-pyridin-3-ylacetamide
CID 63253983
2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide
CID 46435313
3-fluoro-4-methyl-N-[2-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]ethyl]benzamide
CID 55666059
N-[[2-(difluoromethoxy)phenyl]methyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55665911
N-[3-(aminomethyl)pentan-3-yl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 119569250

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
The IUPAC name of N-(3-aminobutyl)-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide (CID 119495672) is N-(3-aminobutyl)-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(3-aminobutyl)-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-(3-aminobutyl)-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide is CC(N)CCNC(=O)CN(C)S(=O)(=O)c1cccnc1.
What is the InChIKey of N-(3-aminobutyl)-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
The InChIKey is QBUCWAKPBFQTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-10(13)5-7-15-12(17)9-16(2)20(18,19)11-4-3-6-14-8-11/h3-4,6,8,10H,5,7,9,13H2,1-2H3,(H,15,17).
What are the key properties of N-(3-aminobutyl)-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
N-(3-aminobutyl)-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide has a molecular weight of 300.38 g/mol, XLogP of -0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 119495672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).