N-[(2R)-3,3-dimethylbutan-2-yl]-3,3-dimethylbutane-1-sulfonamide

C12H27NO2S — CID 146228192

IUPACN-[(2R)-3,3-dimethylbutan-2-yl]-3,3-dimethylbutane-1-sulfonamide
SMILESC[C@@H](NS(=O)(=O)CCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H27NO2S/c1-10(12(5,6)7)13-16(14,15)9-8-11(2,3)4/h10,13H,8-9H2,1-7H3/t10-/m1/s1
InChIKeyORRPSVYXRYJQLF-SNVBAGLBSA-N
MW249.42 g/mol
LogP2.78
Rot. Bonds4

About N-[(2R)-3,3-dimethylbutan-2-yl]-3,3-dimethylbutane-1-sulfonamide

N-[(2R)-3,3-dimethylbutan-2-yl]-3,3-dimethylbutane-1-sulfonamide (PubChem CID 146228192) has the molecular formula C12H27NO2S and a molecular weight of 249.42 g/mol. Its IUPAC name is N-[(2R)-3,3-dimethylbutan-2-yl]-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-3,3-dimethylbutan-2-yl]-3,3-dimethylbutane-1-sulfonamide
PubChem CID146228192
Molecular FormulaC12H27NO2S
Molecular Weight249.42 g/mol
Exact Mass249.18
IUPAC NameN-[(2R)-3,3-dimethylbutan-2-yl]-3,3-dimethylbutane-1-sulfonamide
SMILESC[C@@H](NS(=O)(=O)CCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H27NO2S/c1-10(12(5,6)7)13-16(14,15)9-8-11(2,3)4/h10,13H,8-9H2,1-7H3/t10-/m1/s1
InChIKeyORRPSVYXRYJQLF-SNVBAGLBSA-N
XLogP2.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3,3-dimethylbutan-2-yl]-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-[(2R)-3,3-dimethylbutan-2-yl]-3,3-dimethylbutane-1-sulfonamide (CID 146228192) is N-[(2R)-3,3-dimethylbutan-2-yl]-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-[(2R)-3,3-dimethylbutan-2-yl]-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-[(2R)-3,3-dimethylbutan-2-yl]-3,3-dimethylbutane-1-sulfonamide is C[C@@H](NS(=O)(=O)CCC(C)(C)C)C(C)(C)C.
What is the InChIKey of N-[(2R)-3,3-dimethylbutan-2-yl]-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is ORRPSVYXRYJQLF-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H27NO2S/c1-10(12(5,6)7)13-16(14,15)9-8-11(2,3)4/h10,13H,8-9H2,1-7H3/t10-/m1/s1.
What are the key properties of N-[(2R)-3,3-dimethylbutan-2-yl]-3,3-dimethylbutane-1-sulfonamide?
N-[(2R)-3,3-dimethylbutan-2-yl]-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 249.42 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3,3-dimethylbutan-2-yl]-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 146228192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).