2-amino-N,N-dimethyl-4-methylsulfonylbutanamide;hydrobromide

C7H17BrN2O3S — CID 42948602

IUPAC2-amino-N,N-dimethyl-4-methylsulfonylbutanamide;hydrobromide
SMILESBr.CN(C)C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C7H16N2O3S.BrH/c1-9(2)7(10)6(8)4-5-13(3,11)12;/h6H,4-5,8H2,1-3H3;1H
InChIKeyPPXYIGUXJYWJAX-UHFFFAOYSA-N
MW289.19 g/mol
LogP-0.59
Rot. Bonds4

About 2-amino-N,N-dimethyl-4-methylsulfonylbutanamide;hydrobromide

2-amino-N,N-dimethyl-4-methylsulfonylbutanamide;hydrobromide (PubChem CID 42948602) has the molecular formula C7H17BrN2O3S and a molecular weight of 289.19 g/mol. Its IUPAC name is 2-amino-N,N-dimethyl-4-methylsulfonylbutanamide;hydrobromide.

Molecular Properties

Compound Name2-amino-N,N-dimethyl-4-methylsulfonylbutanamide;hydrobromide
PubChem CID42948602
Molecular FormulaC7H17BrN2O3S
Molecular Weight289.19 g/mol
Exact Mass288.01
IUPAC Name2-amino-N,N-dimethyl-4-methylsulfonylbutanamide;hydrobromide
SMILESBr.CN(C)C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C7H16N2O3S.BrH/c1-9(2)7(10)6(8)4-5-13(3,11)12;/h6H,4-5,8H2,1-3H3;1H
InChIKeyPPXYIGUXJYWJAX-UHFFFAOYSA-N
XLogP-0.59
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-dimethyl-4-methylsulfonylbutanamide;hydrobromide?
The IUPAC name of 2-amino-N,N-dimethyl-4-methylsulfonylbutanamide;hydrobromide (CID 42948602) is 2-amino-N,N-dimethyl-4-methylsulfonylbutanamide;hydrobromide.
What is the SMILES notation for 2-amino-N,N-dimethyl-4-methylsulfonylbutanamide;hydrobromide?
The canonical SMILES for 2-amino-N,N-dimethyl-4-methylsulfonylbutanamide;hydrobromide is Br.CN(C)C(=O)C(N)CCS(C)(=O)=O.
What is the InChIKey of 2-amino-N,N-dimethyl-4-methylsulfonylbutanamide;hydrobromide?
The InChIKey is PPXYIGUXJYWJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S.BrH/c1-9(2)7(10)6(8)4-5-13(3,11)12;/h6H,4-5,8H2,1-3H3;1H.
What are the key properties of 2-amino-N,N-dimethyl-4-methylsulfonylbutanamide;hydrobromide?
2-amino-N,N-dimethyl-4-methylsulfonylbutanamide;hydrobromide has a molecular weight of 289.19 g/mol, XLogP of -0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-dimethyl-4-methylsulfonylbutanamide;hydrobromide is sourced from PubChem (CID 42948602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).