4-methyl-4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]pentanoic acid

C14H21N3O5S — CID 119357610

IUPAC4-methyl-4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]pentanoic acid
SMILESCN(CC(=O)NC(C)(C)CCC(=O)O)S(=O)(=O)c1cccnc1
InChIInChI=1S/C14H21N3O5S/c1-14(2,7-6-13(19)20)16-12(18)10-17(3)23(21,22)11-5-4-8-15-9-11/h4-5,8-9H,6-7,10H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyRDFUHCNQVKVZMP-UHFFFAOYSA-N
MW343.41 g/mol
LogP0.46
Rot. Bonds8

About 4-methyl-4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]pentanoic acid

4-methyl-4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]pentanoic acid (PubChem CID 119357610) has the molecular formula C14H21N3O5S and a molecular weight of 343.41 g/mol. Its IUPAC name is 4-methyl-4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]pentanoic acid
PubChem CID119357610
Molecular FormulaC14H21N3O5S
Molecular Weight343.41 g/mol
Exact Mass343.12
IUPAC Name4-methyl-4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]pentanoic acid
SMILESCN(CC(=O)NC(C)(C)CCC(=O)O)S(=O)(=O)c1cccnc1
InChIInChI=1S/C14H21N3O5S/c1-14(2,7-6-13(19)20)16-12(18)10-17(3)23(21,22)11-5-4-8-15-9-11/h4-5,8-9H,6-7,10H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyRDFUHCNQVKVZMP-UHFFFAOYSA-N
XLogP0.46
TPSA116.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]pentanoic acid
CID 119357149
4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]butanoic acid
CID 119352881
N-[3-(aminomethyl)pentan-3-yl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 119569250
2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 47029650
(2R)-3-methyl-2-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]butanoic acid
CID 119369262
2-[2-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]ethylsulfanyl]acetic acid
CID 120526439
N-(3-aminobutyl)-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 119495672
N-[2-(methylamino)propyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide;dihydrochloride
CID 120830025
N-[(4-chlorophenyl)-phenylmethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55668921
2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)acetamide
CID 55663160
N-[3-(2-cyanopropan-2-yl)phenyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 167837721
N-[furan-2-yl(phenyl)methyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55668935

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]pentanoic acid (CID 119357610) is 4-methyl-4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]pentanoic acid is CN(CC(=O)NC(C)(C)CCC(=O)O)S(=O)(=O)c1cccnc1.
What is the InChIKey of 4-methyl-4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]pentanoic acid?
The InChIKey is RDFUHCNQVKVZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5S/c1-14(2,7-6-13(19)20)16-12(18)10-17(3)23(21,22)11-5-4-8-15-9-11/h4-5,8-9H,6-7,10H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 4-methyl-4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]pentanoic acid?
4-methyl-4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]pentanoic acid has a molecular weight of 343.41 g/mol, XLogP of 0.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]pentanoic acid is sourced from PubChem (CID 119357610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).