3-methyl-3-(2-propan-2-ylsulfonylethylamino)butanamide

C10H22N2O3S — CID 104580439

IUPAC3-methyl-3-(2-propan-2-ylsulfonylethylamino)butanamide
SMILESCC(C)S(=O)(=O)CCNC(C)(C)CC(N)=O
InChIInChI=1S/C10H22N2O3S/c1-8(2)16(14,15)6-5-12-10(3,4)7-9(11)13/h8,12H,5-7H2,1-4H3,(H2,11,13)
InChIKeyCJXAFSFPQXYTQA-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.05
Rot. Bonds7

About 3-methyl-3-(2-propan-2-ylsulfonylethylamino)butanamide

3-methyl-3-(2-propan-2-ylsulfonylethylamino)butanamide (PubChem CID 104580439) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 3-methyl-3-(2-propan-2-ylsulfonylethylamino)butanamide.

Molecular Properties

Compound Name3-methyl-3-(2-propan-2-ylsulfonylethylamino)butanamide
PubChem CID104580439
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name3-methyl-3-(2-propan-2-ylsulfonylethylamino)butanamide
SMILESCC(C)S(=O)(=O)CCNC(C)(C)CC(N)=O
InChIInChI=1S/C10H22N2O3S/c1-8(2)16(14,15)6-5-12-10(3,4)7-9(11)13/h8,12H,5-7H2,1-4H3,(H2,11,13)
InChIKeyCJXAFSFPQXYTQA-UHFFFAOYSA-N
XLogP0.05
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-3-amine
CID 103864804
3-[(2,3-diamino-3-oxopropyl)amino]-3-methylbutanamide
CID 106097393
2-ethyl-2-(2-propan-2-ylsulfonylethylamino)butanoic acid
CID 106727638
3-methyl-3-(3-methylbut-3-enylamino)butanamide
CID 104926886
3-methyl-3-(3-methylsulfanylpropylamino)butanamide
CID 104580425
3-methyl-3-(pent-4-ynylamino)butanamide
CID 104580392
3-[[3-(dimethylamino)-2-hydroxypropyl]amino]-3-methylbutanamide
CID 106096310
3-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutanamide
CID 104580249
4,4-dimethyl-3-(2-propan-2-ylsulfonylethylamino)pentan-1-ol
CID 113434724
3-(1-aminobutan-2-ylsulfonylamino)-3-methylbutanamide
CID 106096181
3-(hept-6-enylamino)-3-methylbutanamide
CID 107167055
N-tert-butyl-3-(2-propan-2-ylsulfonylethylamino)propanamide
CID 106724338

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2-propan-2-ylsulfonylethylamino)butanamide?
The IUPAC name of 3-methyl-3-(2-propan-2-ylsulfonylethylamino)butanamide (CID 104580439) is 3-methyl-3-(2-propan-2-ylsulfonylethylamino)butanamide.
What is the SMILES notation for 3-methyl-3-(2-propan-2-ylsulfonylethylamino)butanamide?
The canonical SMILES for 3-methyl-3-(2-propan-2-ylsulfonylethylamino)butanamide is CC(C)S(=O)(=O)CCNC(C)(C)CC(N)=O.
What is the InChIKey of 3-methyl-3-(2-propan-2-ylsulfonylethylamino)butanamide?
The InChIKey is CJXAFSFPQXYTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-8(2)16(14,15)6-5-12-10(3,4)7-9(11)13/h8,12H,5-7H2,1-4H3,(H2,11,13).
What are the key properties of 3-methyl-3-(2-propan-2-ylsulfonylethylamino)butanamide?
3-methyl-3-(2-propan-2-ylsulfonylethylamino)butanamide has a molecular weight of 250.36 g/mol, XLogP of 0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2-propan-2-ylsulfonylethylamino)butanamide is sourced from PubChem (CID 104580439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).