N-[3-(aminomethyl)pentan-3-yl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide

C14H24N4O3S — CID 119569250

IUPACN-[3-(aminomethyl)pentan-3-yl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
SMILESCCC(CC)(CN)NC(=O)CN(C)S(=O)(=O)c1cccnc1
InChIInChI=1S/C14H24N4O3S/c1-4-14(5-2,11-15)17-13(19)10-18(3)22(20,21)12-7-6-8-16-9-12/h6-9H,4-5,10-11,15H2,1-3H3,(H,17,19)
InChIKeySIWZVOZNCILSJD-UHFFFAOYSA-N
MW328.44 g/mol
LogP0.34
Rot. Bonds8

About N-[3-(aminomethyl)pentan-3-yl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide

N-[3-(aminomethyl)pentan-3-yl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide (PubChem CID 119569250) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
PubChem CID119569250
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
SMILESCCC(CC)(CN)NC(=O)CN(C)S(=O)(=O)c1cccnc1
InChIInChI=1S/C14H24N4O3S/c1-4-14(5-2,11-15)17-13(19)10-18(3)22(20,21)12-7-6-8-16-9-12/h6-9H,4-5,10-11,15H2,1-3H3,(H,17,19)
InChIKeySIWZVOZNCILSJD-UHFFFAOYSA-N
XLogP0.34
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(aminomethyl)pentan-3-yl]-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-methyl-4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]pentanoic acid
CID 119357610
2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 47029650
N-(3-aminobutyl)-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 119495672
(2R)-3-methyl-2-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]butanoic acid
CID 119369262
4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]butanoic acid
CID 119352881
2-[2-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]ethylsulfanyl]acetic acid
CID 120526439
N-[2-(methylamino)propyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide;dihydrochloride
CID 120830025
N-[3-(aminomethyl)pentan-3-yl]pyridine-3-carboxamide
CID 63767262
2-[methyl(pyridin-3-ylsulfonyl)amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 55850501
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[benzenesulfonyl(methyl)amino]acetamide
CID 119605589
2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)acetamide
CID 55663160
N-[(4-chlorophenyl)-phenylmethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55668921

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide (CID 119569250) is N-[3-(aminomethyl)pentan-3-yl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide is CCC(CC)(CN)NC(=O)CN(C)S(=O)(=O)c1cccnc1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
The InChIKey is SIWZVOZNCILSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-4-14(5-2,11-15)17-13(19)10-18(3)22(20,21)12-7-6-8-16-9-12/h6-9H,4-5,10-11,15H2,1-3H3,(H,17,19).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
N-[3-(aminomethyl)pentan-3-yl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide has a molecular weight of 328.44 g/mol, XLogP of 0.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 119569250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).