2-amino-4-methylsulfonyl-N-propan-2-yl-N-prop-2-enylbutanamide

C11H22N2O3S — CID 54872997

IUPAC2-amino-4-methylsulfonyl-N-propan-2-yl-N-prop-2-enylbutanamide
SMILESC=CCN(C(=O)C(N)CCS(C)(=O)=O)C(C)C
InChIInChI=1S/C11H22N2O3S/c1-5-7-13(9(2)3)11(14)10(12)6-8-17(4,15)16/h5,9-10H,1,6-8,12H2,2-4H3
InChIKeyLVSGMSCGEKRRBA-UHFFFAOYSA-N
MW262.38 g/mol
LogP0.17
Rot. Bonds7

About 2-amino-4-methylsulfonyl-N-propan-2-yl-N-prop-2-enylbutanamide

2-amino-4-methylsulfonyl-N-propan-2-yl-N-prop-2-enylbutanamide (PubChem CID 54872997) has the molecular formula C11H22N2O3S and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-amino-4-methylsulfonyl-N-propan-2-yl-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name2-amino-4-methylsulfonyl-N-propan-2-yl-N-prop-2-enylbutanamide
PubChem CID54872997
Molecular FormulaC11H22N2O3S
Molecular Weight262.38 g/mol
Exact Mass262.14
IUPAC Name2-amino-4-methylsulfonyl-N-propan-2-yl-N-prop-2-enylbutanamide
SMILESC=CCN(C(=O)C(N)CCS(C)(=O)=O)C(C)C
InChIInChI=1S/C11H22N2O3S/c1-5-7-13(9(2)3)11(14)10(12)6-8-17(4,15)16/h5,9-10H,1,6-8,12H2,2-4H3
InChIKeyLVSGMSCGEKRRBA-UHFFFAOYSA-N
XLogP0.17
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfonyl-N-propan-2-yl-N-prop-2-enylbutanamide?
The IUPAC name of 2-amino-4-methylsulfonyl-N-propan-2-yl-N-prop-2-enylbutanamide (CID 54872997) is 2-amino-4-methylsulfonyl-N-propan-2-yl-N-prop-2-enylbutanamide.
What is the SMILES notation for 2-amino-4-methylsulfonyl-N-propan-2-yl-N-prop-2-enylbutanamide?
The canonical SMILES for 2-amino-4-methylsulfonyl-N-propan-2-yl-N-prop-2-enylbutanamide is C=CCN(C(=O)C(N)CCS(C)(=O)=O)C(C)C.
What is the InChIKey of 2-amino-4-methylsulfonyl-N-propan-2-yl-N-prop-2-enylbutanamide?
The InChIKey is LVSGMSCGEKRRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-5-7-13(9(2)3)11(14)10(12)6-8-17(4,15)16/h5,9-10H,1,6-8,12H2,2-4H3.
What are the key properties of 2-amino-4-methylsulfonyl-N-propan-2-yl-N-prop-2-enylbutanamide?
2-amino-4-methylsulfonyl-N-propan-2-yl-N-prop-2-enylbutanamide has a molecular weight of 262.38 g/mol, XLogP of 0.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylsulfonyl-N-propan-2-yl-N-prop-2-enylbutanamide is sourced from PubChem (CID 54872997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).