N,N-dimethyl-2-(3-methylbutylsulfonylmethyl)butanediamide

C12H24N2O4S — CID 91344635

IUPACN,N-dimethyl-2-(3-methylbutylsulfonylmethyl)butanediamide
SMILESCC(C)CCS(=O)(=O)CC(CC(N)=O)C(=O)N(C)C
InChIInChI=1S/C12H24N2O4S/c1-9(2)5-6-19(17,18)8-10(7-11(13)15)12(16)14(3)4/h9-10H,5-8H2,1-4H3,(H2,13,15)
InChIKeyAMMOGNHNKSXHFY-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.03
Rot. Bonds8

About N,N-dimethyl-2-(3-methylbutylsulfonylmethyl)butanediamide

N,N-dimethyl-2-(3-methylbutylsulfonylmethyl)butanediamide (PubChem CID 91344635) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-methylbutylsulfonylmethyl)butanediamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-methylbutylsulfonylmethyl)butanediamide
PubChem CID91344635
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC NameN,N-dimethyl-2-(3-methylbutylsulfonylmethyl)butanediamide
SMILESCC(C)CCS(=O)(=O)CC(CC(N)=O)C(=O)N(C)C
InChIInChI=1S/C12H24N2O4S/c1-9(2)5-6-19(17,18)8-10(7-11(13)15)12(16)14(3)4/h9-10H,5-8H2,1-4H3,(H2,13,15)
InChIKeyAMMOGNHNKSXHFY-UHFFFAOYSA-N
XLogP0.03
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(3-methylbutylsulfonylmethyl)butanediamide?
The IUPAC name of N,N-dimethyl-2-(3-methylbutylsulfonylmethyl)butanediamide (CID 91344635) is N,N-dimethyl-2-(3-methylbutylsulfonylmethyl)butanediamide.
What is the SMILES notation for N,N-dimethyl-2-(3-methylbutylsulfonylmethyl)butanediamide?
The canonical SMILES for N,N-dimethyl-2-(3-methylbutylsulfonylmethyl)butanediamide is CC(C)CCS(=O)(=O)CC(CC(N)=O)C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-(3-methylbutylsulfonylmethyl)butanediamide?
The InChIKey is AMMOGNHNKSXHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-9(2)5-6-19(17,18)8-10(7-11(13)15)12(16)14(3)4/h9-10H,5-8H2,1-4H3,(H2,13,15).
What are the key properties of N,N-dimethyl-2-(3-methylbutylsulfonylmethyl)butanediamide?
N,N-dimethyl-2-(3-methylbutylsulfonylmethyl)butanediamide has a molecular weight of 292.40 g/mol, XLogP of 0.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-methylbutylsulfonylmethyl)butanediamide is sourced from PubChem (CID 91344635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).