N-(1-amino-2,3-dimethylbutan-2-yl)-3-(pyridin-3-ylsulfonylamino)propanamide

C14H24N4O3S — CID 119607953

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-3-(pyridin-3-ylsulfonylamino)propanamide
SMILESCC(C)C(C)(CN)NC(=O)CCNS(=O)(=O)c1cccnc1
InChIInChI=1S/C14H24N4O3S/c1-11(2)14(3,10-15)18-13(19)6-8-17-22(20,21)12-5-4-7-16-9-12/h4-5,7,9,11,17H,6,8,10,15H2,1-3H3,(H,18,19)
InChIKeyKELWTNKIWBYNLY-UHFFFAOYSA-N
MW328.44 g/mol
LogP0.24
Rot. Bonds8

About N-(1-amino-2,3-dimethylbutan-2-yl)-3-(pyridin-3-ylsulfonylamino)propanamide

N-(1-amino-2,3-dimethylbutan-2-yl)-3-(pyridin-3-ylsulfonylamino)propanamide (PubChem CID 119607953) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-3-(pyridin-3-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-(pyridin-3-ylsulfonylamino)propanamide
PubChem CID119607953
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-(pyridin-3-ylsulfonylamino)propanamide
SMILESCC(C)C(C)(CN)NC(=O)CCNS(=O)(=O)c1cccnc1
InChIInChI=1S/C14H24N4O3S/c1-11(2)14(3,10-15)18-13(19)6-8-17-22(20,21)12-5-4-7-16-9-12/h4-5,7,9,11,17H,6,8,10,15H2,1-3H3,(H,18,19)
InChIKeyKELWTNKIWBYNLY-UHFFFAOYSA-N
XLogP0.24
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]pentanoic acid
CID 119357149
(2S)-2-[3-(pyridin-3-ylsulfonylamino)propanoylamino]propanoic acid
CID 119943288
N-(2-amino-2-ethylbutyl)-3-(pyridin-3-ylsulfonylamino)propanamide
CID 119642641
N-(1-aminopropan-2-yl)-N-methyl-3-(pyridin-3-ylsulfonylamino)propanamide
CID 119584043
N-(3-amino-2,2-dimethylpropyl)pyridine-3-sulfonamide
CID 115365958
N-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide
CID 47027647
N-(4-aminobutyl)pyridine-3-sulfonamide
CID 60893787
[(2S)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-(pyridin-3-ylsulfonylamino)propanoate
CID 25349519
N-(2-amino-2-methylpropyl)pyridine-3-sulfonamide
CID 115303456
N-[1-(2,4-difluorophenyl)ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide
CID 43072375
methyl 7-(pyridin-3-ylsulfonylamino)heptanoate
CID 87038191
N-propylpyridine-3-sulfonamide
CID 43258995

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(pyridin-3-ylsulfonylamino)propanamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(pyridin-3-ylsulfonylamino)propanamide (CID 119607953) is N-(1-amino-2,3-dimethylbutan-2-yl)-3-(pyridin-3-ylsulfonylamino)propanamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(pyridin-3-ylsulfonylamino)propanamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(pyridin-3-ylsulfonylamino)propanamide is CC(C)C(C)(CN)NC(=O)CCNS(=O)(=O)c1cccnc1.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(pyridin-3-ylsulfonylamino)propanamide?
The InChIKey is KELWTNKIWBYNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-11(2)14(3,10-15)18-13(19)6-8-17-22(20,21)12-5-4-7-16-9-12/h4-5,7,9,11,17H,6,8,10,15H2,1-3H3,(H,18,19).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(pyridin-3-ylsulfonylamino)propanamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(pyridin-3-ylsulfonylamino)propanamide has a molecular weight of 328.44 g/mol, XLogP of 0.24, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(pyridin-3-ylsulfonylamino)propanamide is sourced from PubChem (CID 119607953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).