N-[(3R)-2,2-dimethylpentan-3-yl]-4,4-dimethylpentane-1-sulfonamide

C14H31NO2S — CID 146352897

IUPACN-[(3R)-2,2-dimethylpentan-3-yl]-4,4-dimethylpentane-1-sulfonamide
SMILESCC[C@@H](NS(=O)(=O)CCCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H31NO2S/c1-8-12(14(5,6)7)15-18(16,17)11-9-10-13(2,3)4/h12,15H,8-11H2,1-7H3/t12-/m1/s1
InChIKeyMTIOPDVXVGIICL-GFCCVEGCSA-N
MW277.47 g/mol
LogP3.56
Rot. Bonds6

About N-[(3R)-2,2-dimethylpentan-3-yl]-4,4-dimethylpentane-1-sulfonamide

N-[(3R)-2,2-dimethylpentan-3-yl]-4,4-dimethylpentane-1-sulfonamide (PubChem CID 146352897) has the molecular formula C14H31NO2S and a molecular weight of 277.47 g/mol. Its IUPAC name is N-[(3R)-2,2-dimethylpentan-3-yl]-4,4-dimethylpentane-1-sulfonamide.

Molecular Properties

Compound NameN-[(3R)-2,2-dimethylpentan-3-yl]-4,4-dimethylpentane-1-sulfonamide
PubChem CID146352897
Molecular FormulaC14H31NO2S
Molecular Weight277.47 g/mol
Exact Mass277.21
IUPAC NameN-[(3R)-2,2-dimethylpentan-3-yl]-4,4-dimethylpentane-1-sulfonamide
SMILESCC[C@@H](NS(=O)(=O)CCCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H31NO2S/c1-8-12(14(5,6)7)15-18(16,17)11-9-10-13(2,3)4/h12,15H,8-11H2,1-7H3/t12-/m1/s1
InChIKeyMTIOPDVXVGIICL-GFCCVEGCSA-N
XLogP3.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-2,2-dimethylpentan-3-yl]-4,4-dimethylpentane-1-sulfonamide?
The IUPAC name of N-[(3R)-2,2-dimethylpentan-3-yl]-4,4-dimethylpentane-1-sulfonamide (CID 146352897) is N-[(3R)-2,2-dimethylpentan-3-yl]-4,4-dimethylpentane-1-sulfonamide.
What is the SMILES notation for N-[(3R)-2,2-dimethylpentan-3-yl]-4,4-dimethylpentane-1-sulfonamide?
The canonical SMILES for N-[(3R)-2,2-dimethylpentan-3-yl]-4,4-dimethylpentane-1-sulfonamide is CC[C@@H](NS(=O)(=O)CCCC(C)(C)C)C(C)(C)C.
What is the InChIKey of N-[(3R)-2,2-dimethylpentan-3-yl]-4,4-dimethylpentane-1-sulfonamide?
The InChIKey is MTIOPDVXVGIICL-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H31NO2S/c1-8-12(14(5,6)7)15-18(16,17)11-9-10-13(2,3)4/h12,15H,8-11H2,1-7H3/t12-/m1/s1.
What are the key properties of N-[(3R)-2,2-dimethylpentan-3-yl]-4,4-dimethylpentane-1-sulfonamide?
N-[(3R)-2,2-dimethylpentan-3-yl]-4,4-dimethylpentane-1-sulfonamide has a molecular weight of 277.47 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-2,2-dimethylpentan-3-yl]-4,4-dimethylpentane-1-sulfonamide is sourced from PubChem (CID 146352897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).