N-[[(2R)-3,3-dimethylbutan-2-yl]sulfamoyl]-5,5-dimethylhexan-1-amine

C14H32N2O2S — CID 146352975

IUPACN-[[(2R)-3,3-dimethylbutan-2-yl]sulfamoyl]-5,5-dimethylhexan-1-amine
SMILESC[C@@H](NS(=O)(=O)NCCCCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H32N2O2S/c1-12(14(5,6)7)16-19(17,18)15-11-9-8-10-13(2,3)4/h12,15-16H,8-11H2,1-7H3/t12-/m1/s1
InChIKeyIKCDYSCKZLZXJS-GFCCVEGCSA-N
MW292.49 g/mol
LogP3.06
Rot. Bonds7

About N-[[(2R)-3,3-dimethylbutan-2-yl]sulfamoyl]-5,5-dimethylhexan-1-amine

N-[[(2R)-3,3-dimethylbutan-2-yl]sulfamoyl]-5,5-dimethylhexan-1-amine (PubChem CID 146352975) has the molecular formula C14H32N2O2S and a molecular weight of 292.49 g/mol. Its IUPAC name is N-[[(2R)-3,3-dimethylbutan-2-yl]sulfamoyl]-5,5-dimethylhexan-1-amine.

Molecular Properties

Compound NameN-[[(2R)-3,3-dimethylbutan-2-yl]sulfamoyl]-5,5-dimethylhexan-1-amine
PubChem CID146352975
Molecular FormulaC14H32N2O2S
Molecular Weight292.49 g/mol
Exact Mass292.22
IUPAC NameN-[[(2R)-3,3-dimethylbutan-2-yl]sulfamoyl]-5,5-dimethylhexan-1-amine
SMILESC[C@@H](NS(=O)(=O)NCCCCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H32N2O2S/c1-12(14(5,6)7)16-19(17,18)15-11-9-8-10-13(2,3)4/h12,15-16H,8-11H2,1-7H3/t12-/m1/s1
InChIKeyIKCDYSCKZLZXJS-GFCCVEGCSA-N
XLogP3.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-3,3-dimethylbutan-2-yl]sulfamoyl]-5,5-dimethylhexan-1-amine?
The IUPAC name of N-[[(2R)-3,3-dimethylbutan-2-yl]sulfamoyl]-5,5-dimethylhexan-1-amine (CID 146352975) is N-[[(2R)-3,3-dimethylbutan-2-yl]sulfamoyl]-5,5-dimethylhexan-1-amine.
What is the SMILES notation for N-[[(2R)-3,3-dimethylbutan-2-yl]sulfamoyl]-5,5-dimethylhexan-1-amine?
The canonical SMILES for N-[[(2R)-3,3-dimethylbutan-2-yl]sulfamoyl]-5,5-dimethylhexan-1-amine is C[C@@H](NS(=O)(=O)NCCCCC(C)(C)C)C(C)(C)C.
What is the InChIKey of N-[[(2R)-3,3-dimethylbutan-2-yl]sulfamoyl]-5,5-dimethylhexan-1-amine?
The InChIKey is IKCDYSCKZLZXJS-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H32N2O2S/c1-12(14(5,6)7)16-19(17,18)15-11-9-8-10-13(2,3)4/h12,15-16H,8-11H2,1-7H3/t12-/m1/s1.
What are the key properties of N-[[(2R)-3,3-dimethylbutan-2-yl]sulfamoyl]-5,5-dimethylhexan-1-amine?
N-[[(2R)-3,3-dimethylbutan-2-yl]sulfamoyl]-5,5-dimethylhexan-1-amine has a molecular weight of 292.49 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-3,3-dimethylbutan-2-yl]sulfamoyl]-5,5-dimethylhexan-1-amine is sourced from PubChem (CID 146352975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).