N-(6-amino-5,5-dimethylhexan-3-yl)methanesulfonamide

C9H22N2O2S — CID 123742936

IUPACN-(6-amino-5,5-dimethylhexan-3-yl)methanesulfonamide
SMILESCCC(CC(C)(C)CN)NS(C)(=O)=O
InChIInChI=1S/C9H22N2O2S/c1-5-8(11-14(4,12)13)6-9(2,3)7-10/h8,11H,5-7,10H2,1-4H3
InChIKeyHTXQMJUXXVHROM-UHFFFAOYSA-N
MW222.35 g/mol
LogP0.69
Rot. Bonds6

About N-(6-amino-5,5-dimethylhexan-3-yl)methanesulfonamide

N-(6-amino-5,5-dimethylhexan-3-yl)methanesulfonamide (PubChem CID 123742936) has the molecular formula C9H22N2O2S and a molecular weight of 222.35 g/mol. Its IUPAC name is N-(6-amino-5,5-dimethylhexan-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(6-amino-5,5-dimethylhexan-3-yl)methanesulfonamide
PubChem CID123742936
Molecular FormulaC9H22N2O2S
Molecular Weight222.35 g/mol
Exact Mass222.14
IUPAC NameN-(6-amino-5,5-dimethylhexan-3-yl)methanesulfonamide
SMILESCCC(CC(C)(C)CN)NS(C)(=O)=O
InChIInChI=1S/C9H22N2O2S/c1-5-8(11-14(4,12)13)6-9(2,3)7-10/h8,11H,5-7,10H2,1-4H3
InChIKeyHTXQMJUXXVHROM-UHFFFAOYSA-N
XLogP0.69
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5,5-dimethylhexan-3-yl)methanesulfonamide?
The IUPAC name of N-(6-amino-5,5-dimethylhexan-3-yl)methanesulfonamide (CID 123742936) is N-(6-amino-5,5-dimethylhexan-3-yl)methanesulfonamide.
What is the SMILES notation for N-(6-amino-5,5-dimethylhexan-3-yl)methanesulfonamide?
The canonical SMILES for N-(6-amino-5,5-dimethylhexan-3-yl)methanesulfonamide is CCC(CC(C)(C)CN)NS(C)(=O)=O.
What is the InChIKey of N-(6-amino-5,5-dimethylhexan-3-yl)methanesulfonamide?
The InChIKey is HTXQMJUXXVHROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2S/c1-5-8(11-14(4,12)13)6-9(2,3)7-10/h8,11H,5-7,10H2,1-4H3.
What are the key properties of N-(6-amino-5,5-dimethylhexan-3-yl)methanesulfonamide?
N-(6-amino-5,5-dimethylhexan-3-yl)methanesulfonamide has a molecular weight of 222.35 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-5,5-dimethylhexan-3-yl)methanesulfonamide is sourced from PubChem (CID 123742936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).