4-amino-3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide

C11H17N3O3S — CID 81075258

IUPAC4-amino-3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide
SMILESCC(CN)CC(=O)Nc1ccc(S(C)(=O)=O)nc1
InChIInChI=1S/C11H17N3O3S/c1-8(6-12)5-10(15)14-9-3-4-11(13-7-9)18(2,16)17/h3-4,7-8H,5-6,12H2,1-2H3,(H,14,15)
InChIKeyHQFWBCIOBMREAN-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.41
Rot. Bonds5

About 4-amino-3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide

4-amino-3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide (PubChem CID 81075258) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-amino-3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide
PubChem CID81075258
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name4-amino-3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide
SMILESCC(CN)CC(=O)Nc1ccc(S(C)(=O)=O)nc1
InChIInChI=1S/C11H17N3O3S/c1-8(6-12)5-10(15)14-9-3-4-11(13-7-9)18(2,16)17/h3-4,7-8H,5-6,12H2,1-2H3,(H,14,15)
InChIKeyHQFWBCIOBMREAN-UHFFFAOYSA-N
XLogP0.41
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide
CID 47212321
2-chloro-N-(6-methylsulfonyl-3-pyridinyl)acetamide
CID 43696835
4-amino-2-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide
CID 80543396
4-amino-N-(6-ethoxy-3-pyridinyl)-3-methylbutanamide
CID 81080925
(2R)-2-amino-N-(6-methylsulfonyl-3-pyridinyl)propanamide
CID 78972498
4-amino-N-[6-(diethylamino)-3-pyridinyl]-3-methylbutanamide
CID 81076308
4-amino-3-methyl-N-[4-(3-methylbutanoylamino)phenyl]butanamide
CID 81084171
5-hydroxy-N-(6-methylsulfonyl-3-pyridinyl)pentanamide
CID 79199124
2-[2-[(6-methylsulfonyl-3-pyridinyl)amino]-2-oxoethoxy]acetic acid
CID 61329211
2-methoxy-N-(6-methylsulfonyl-3-pyridinyl)propanamide
CID 47307987
4-amino-3-methyl-N-pyridin-3-ylbutanamide
CID 81070233
2-[2-[(6-methylsulfonyl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 113427691

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide?
The IUPAC name of 4-amino-3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide (CID 81075258) is 4-amino-3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide.
What is the SMILES notation for 4-amino-3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide?
The canonical SMILES for 4-amino-3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide is CC(CN)CC(=O)Nc1ccc(S(C)(=O)=O)nc1.
What is the InChIKey of 4-amino-3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide?
The InChIKey is HQFWBCIOBMREAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-8(6-12)5-10(15)14-9-3-4-11(13-7-9)18(2,16)17/h3-4,7-8H,5-6,12H2,1-2H3,(H,14,15).
What are the key properties of 4-amino-3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide?
4-amino-3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide has a molecular weight of 271.34 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide is sourced from PubChem (CID 81075258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).