2-(butan-2-ylsulfonylamino)prop-2-enamide

C7H14N2O3S — CID 174361972

IUPAC2-(butan-2-ylsulfonylamino)prop-2-enamide
SMILESC=C(NS(=O)(=O)C(C)CC)C(N)=O
InChIInChI=1S/C7H14N2O3S/c1-4-5(2)13(11,12)9-6(3)7(8)10/h5,9H,3-4H2,1-2H3,(H2,8,10)
InChIKeyLVWAZDSMIHYJPY-UHFFFAOYSA-N
MW206.27 g/mol
LogP-0.30
Rot. Bonds5

About 2-(butan-2-ylsulfonylamino)prop-2-enamide

2-(butan-2-ylsulfonylamino)prop-2-enamide (PubChem CID 174361972) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is 2-(butan-2-ylsulfonylamino)prop-2-enamide.

Molecular Properties

Compound Name2-(butan-2-ylsulfonylamino)prop-2-enamide
PubChem CID174361972
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC Name2-(butan-2-ylsulfonylamino)prop-2-enamide
SMILESC=C(NS(=O)(=O)C(C)CC)C(N)=O
InChIInChI=1S/C7H14N2O3S/c1-4-5(2)13(11,12)9-6(3)7(8)10/h5,9H,3-4H2,1-2H3,(H2,8,10)
InChIKeyLVWAZDSMIHYJPY-UHFFFAOYSA-N
XLogP-0.30
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-butan-2-ylsulfonyl-3-methylbutanoic acid
CID 43444428
N-propylbutane-2-sulfonamide
CID 57021990
(2R)-butane-2-sulfonic acid
CID 46398806
4-methyl-2-methylidenehexanamide
CID 87496757
3-butan-2-ylsulfonyloxypropyl 2-methylprop-2-enoate
CID 174805251
2-amino-N-ethylsulfonylbutanediamide
CID 103306832
2-amino-N-methylsulfonylbutanamide
CID 103287489
CID 87069248
CID 87069248
N'-[(2R)-butan-2-yl]oxamide
CID 124605597
2-amino-N-propan-2-ylsulfonylpentanamide
CID 86093557
1-[[(2S)-2-amino-3-methylbutanoyl]amino]propane-1-sulfonic acid
CID 175966630
2-amino-6-methylideneoctan-4-one
CID 116556046

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylsulfonylamino)prop-2-enamide?
The IUPAC name of 2-(butan-2-ylsulfonylamino)prop-2-enamide (CID 174361972) is 2-(butan-2-ylsulfonylamino)prop-2-enamide.
What is the SMILES notation for 2-(butan-2-ylsulfonylamino)prop-2-enamide?
The canonical SMILES for 2-(butan-2-ylsulfonylamino)prop-2-enamide is C=C(NS(=O)(=O)C(C)CC)C(N)=O.
What is the InChIKey of 2-(butan-2-ylsulfonylamino)prop-2-enamide?
The InChIKey is LVWAZDSMIHYJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-4-5(2)13(11,12)9-6(3)7(8)10/h5,9H,3-4H2,1-2H3,(H2,8,10).
What are the key properties of 2-(butan-2-ylsulfonylamino)prop-2-enamide?
2-(butan-2-ylsulfonylamino)prop-2-enamide has a molecular weight of 206.27 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylsulfonylamino)prop-2-enamide is sourced from PubChem (CID 174361972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).