3-(1-aminobutan-2-ylsulfonylamino)-3-methylbutanamide

C9H21N3O3S — CID 106096181

IUPAC3-(1-aminobutan-2-ylsulfonylamino)-3-methylbutanamide
SMILESCCC(CN)S(=O)(=O)NC(C)(C)CC(N)=O
InChIInChI=1S/C9H21N3O3S/c1-4-7(6-10)16(14,15)12-9(2,3)5-8(11)13/h7,12H,4-6,10H2,1-3H3,(H2,11,13)
InChIKeyKGOFEZKLAICQHR-UHFFFAOYSA-N
MW251.35 g/mol
LogP-0.70
Rot. Bonds7

About 3-(1-aminobutan-2-ylsulfonylamino)-3-methylbutanamide

3-(1-aminobutan-2-ylsulfonylamino)-3-methylbutanamide (PubChem CID 106096181) has the molecular formula C9H21N3O3S and a molecular weight of 251.35 g/mol. Its IUPAC name is 3-(1-aminobutan-2-ylsulfonylamino)-3-methylbutanamide.

Molecular Properties

Compound Name3-(1-aminobutan-2-ylsulfonylamino)-3-methylbutanamide
PubChem CID106096181
Molecular FormulaC9H21N3O3S
Molecular Weight251.35 g/mol
Exact Mass251.13
IUPAC Name3-(1-aminobutan-2-ylsulfonylamino)-3-methylbutanamide
SMILESCCC(CN)S(=O)(=O)NC(C)(C)CC(N)=O
InChIInChI=1S/C9H21N3O3S/c1-4-7(6-10)16(14,15)12-9(2,3)5-8(11)13/h7,12H,4-6,10H2,1-3H3,(H2,11,13)
InChIKeyKGOFEZKLAICQHR-UHFFFAOYSA-N
XLogP-0.70
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-amino-2-sulfanylideneethyl)sulfonylamino]-3-methylbutanamide
CID 106096763
1-amino-N-(2,3,3-trimethylbutyl)butane-2-sulfonamide
CID 83141468
3-methyl-3-(2-propan-2-ylsulfonylethylamino)butanamide
CID 104580439
3-(benzenesulfonamido)-3-methylbutanamide
CID 104600859
3-methyl-3-(propan-2-ylsulfonylamino)butanoic acid
CID 64701537
3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide
CID 106096229
3-[(5-amino-2-ethylphenyl)sulfonylamino]-3-methylbutanamide
CID 106095517
5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-methylpentanamide
CID 106096608
2-(aminomethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-ethylbutanamide
CID 106096112
3-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 113431409
3-[(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonylamino]-3-methylbutanamide
CID 106095532
3-[(2-amino-4,6-dibromophenyl)sulfonylamino]-3-methylbutanamide
CID 106095490

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminobutan-2-ylsulfonylamino)-3-methylbutanamide?
The IUPAC name of 3-(1-aminobutan-2-ylsulfonylamino)-3-methylbutanamide (CID 106096181) is 3-(1-aminobutan-2-ylsulfonylamino)-3-methylbutanamide.
What is the SMILES notation for 3-(1-aminobutan-2-ylsulfonylamino)-3-methylbutanamide?
The canonical SMILES for 3-(1-aminobutan-2-ylsulfonylamino)-3-methylbutanamide is CCC(CN)S(=O)(=O)NC(C)(C)CC(N)=O.
What is the InChIKey of 3-(1-aminobutan-2-ylsulfonylamino)-3-methylbutanamide?
The InChIKey is KGOFEZKLAICQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O3S/c1-4-7(6-10)16(14,15)12-9(2,3)5-8(11)13/h7,12H,4-6,10H2,1-3H3,(H2,11,13).
What are the key properties of 3-(1-aminobutan-2-ylsulfonylamino)-3-methylbutanamide?
3-(1-aminobutan-2-ylsulfonylamino)-3-methylbutanamide has a molecular weight of 251.35 g/mol, XLogP of -0.70, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminobutan-2-ylsulfonylamino)-3-methylbutanamide is sourced from PubChem (CID 106096181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).