N-(2-amino-3,3-dimethylbutyl)methanesulfonamide

C7H18N2O2S — CID 87623352

IUPACN-(2-amino-3,3-dimethylbutyl)methanesulfonamide
SMILESCC(C)(C)C(N)CNS(C)(=O)=O
InChIInChI=1S/C7H18N2O2S/c1-7(2,3)6(8)5-9-12(4,10)11/h6,9H,5,8H2,1-4H3
InChIKeyJTDJNJPBZOHLPO-UHFFFAOYSA-N
MW194.30 g/mol
LogP-0.09
Rot. Bonds3

About N-(2-amino-3,3-dimethylbutyl)methanesulfonamide

N-(2-amino-3,3-dimethylbutyl)methanesulfonamide (PubChem CID 87623352) has the molecular formula C7H18N2O2S and a molecular weight of 194.30 g/mol. Its IUPAC name is N-(2-amino-3,3-dimethylbutyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-amino-3,3-dimethylbutyl)methanesulfonamide
PubChem CID87623352
Molecular FormulaC7H18N2O2S
Molecular Weight194.30 g/mol
Exact Mass194.11
IUPAC NameN-(2-amino-3,3-dimethylbutyl)methanesulfonamide
SMILESCC(C)(C)C(N)CNS(C)(=O)=O
InChIInChI=1S/C7H18N2O2S/c1-7(2,3)6(8)5-9-12(4,10)11/h6,9H,5,8H2,1-4H3
InChIKeyJTDJNJPBZOHLPO-UHFFFAOYSA-N
XLogP-0.09
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3,3-dimethylbutyl)methanesulfonamide?
The IUPAC name of N-(2-amino-3,3-dimethylbutyl)methanesulfonamide (CID 87623352) is N-(2-amino-3,3-dimethylbutyl)methanesulfonamide.
What is the SMILES notation for N-(2-amino-3,3-dimethylbutyl)methanesulfonamide?
The canonical SMILES for N-(2-amino-3,3-dimethylbutyl)methanesulfonamide is CC(C)(C)C(N)CNS(C)(=O)=O.
What is the InChIKey of N-(2-amino-3,3-dimethylbutyl)methanesulfonamide?
The InChIKey is JTDJNJPBZOHLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O2S/c1-7(2,3)6(8)5-9-12(4,10)11/h6,9H,5,8H2,1-4H3.
What are the key properties of N-(2-amino-3,3-dimethylbutyl)methanesulfonamide?
N-(2-amino-3,3-dimethylbutyl)methanesulfonamide has a molecular weight of 194.30 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3,3-dimethylbutyl)methanesulfonamide is sourced from PubChem (CID 87623352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).