N-[(2S)-3,3-dimethylbutan-2-yl]-4,4-dimethylpentane-1-sulfonamide

C13H29NO2S — CID 146352896

IUPACN-[(2S)-3,3-dimethylbutan-2-yl]-4,4-dimethylpentane-1-sulfonamide
SMILESC[C@H](NS(=O)(=O)CCCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H29NO2S/c1-11(13(5,6)7)14-17(15,16)10-8-9-12(2,3)4/h11,14H,8-10H2,1-7H3/t11-/m0/s1
InChIKeyOLZKPFQEDUDJSW-NSHDSACASA-N
MW263.45 g/mol
LogP3.17
Rot. Bonds5

About N-[(2S)-3,3-dimethylbutan-2-yl]-4,4-dimethylpentane-1-sulfonamide

N-[(2S)-3,3-dimethylbutan-2-yl]-4,4-dimethylpentane-1-sulfonamide (PubChem CID 146352896) has the molecular formula C13H29NO2S and a molecular weight of 263.45 g/mol. Its IUPAC name is N-[(2S)-3,3-dimethylbutan-2-yl]-4,4-dimethylpentane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-3,3-dimethylbutan-2-yl]-4,4-dimethylpentane-1-sulfonamide
PubChem CID146352896
Molecular FormulaC13H29NO2S
Molecular Weight263.45 g/mol
Exact Mass263.19
IUPAC NameN-[(2S)-3,3-dimethylbutan-2-yl]-4,4-dimethylpentane-1-sulfonamide
SMILESC[C@H](NS(=O)(=O)CCCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H29NO2S/c1-11(13(5,6)7)14-17(15,16)10-8-9-12(2,3)4/h11,14H,8-10H2,1-7H3/t11-/m0/s1
InChIKeyOLZKPFQEDUDJSW-NSHDSACASA-N
XLogP3.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3,3-dimethylbutan-2-yl]-4,4-dimethylpentane-1-sulfonamide?
The IUPAC name of N-[(2S)-3,3-dimethylbutan-2-yl]-4,4-dimethylpentane-1-sulfonamide (CID 146352896) is N-[(2S)-3,3-dimethylbutan-2-yl]-4,4-dimethylpentane-1-sulfonamide.
What is the SMILES notation for N-[(2S)-3,3-dimethylbutan-2-yl]-4,4-dimethylpentane-1-sulfonamide?
The canonical SMILES for N-[(2S)-3,3-dimethylbutan-2-yl]-4,4-dimethylpentane-1-sulfonamide is C[C@H](NS(=O)(=O)CCCC(C)(C)C)C(C)(C)C.
What is the InChIKey of N-[(2S)-3,3-dimethylbutan-2-yl]-4,4-dimethylpentane-1-sulfonamide?
The InChIKey is OLZKPFQEDUDJSW-NSHDSACASA-N. The full InChI is InChI=1S/C13H29NO2S/c1-11(13(5,6)7)14-17(15,16)10-8-9-12(2,3)4/h11,14H,8-10H2,1-7H3/t11-/m0/s1.
What are the key properties of N-[(2S)-3,3-dimethylbutan-2-yl]-4,4-dimethylpentane-1-sulfonamide?
N-[(2S)-3,3-dimethylbutan-2-yl]-4,4-dimethylpentane-1-sulfonamide has a molecular weight of 263.45 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3,3-dimethylbutan-2-yl]-4,4-dimethylpentane-1-sulfonamide is sourced from PubChem (CID 146352896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).