N-(3,3,4,4-tetramethylpentyl)methanesulfonamide

C10H23NO2S — CID 20774377

IUPACN-(3,3,4,4-tetramethylpentyl)methanesulfonamide
SMILESCC(C)(C)C(C)(C)CCNS(C)(=O)=O
InChIInChI=1S/C10H23NO2S/c1-9(2,3)10(4,5)7-8-11-14(6,12)13/h11H,7-8H2,1-6H3
InChIKeyFWAUVPMTOKHWJG-UHFFFAOYSA-N
MW221.37 g/mol
LogP2.00
Rot. Bonds4

About N-(3,3,4,4-tetramethylpentyl)methanesulfonamide

N-(3,3,4,4-tetramethylpentyl)methanesulfonamide (PubChem CID 20774377) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is N-(3,3,4,4-tetramethylpentyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3,3,4,4-tetramethylpentyl)methanesulfonamide
PubChem CID20774377
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC NameN-(3,3,4,4-tetramethylpentyl)methanesulfonamide
SMILESCC(C)(C)C(C)(C)CCNS(C)(=O)=O
InChIInChI=1S/C10H23NO2S/c1-9(2,3)10(4,5)7-8-11-14(6,12)13/h11H,7-8H2,1-6H3
InChIKeyFWAUVPMTOKHWJG-UHFFFAOYSA-N
XLogP2.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,4,4-tetramethylpentyl)methanesulfonamide?
The IUPAC name of N-(3,3,4,4-tetramethylpentyl)methanesulfonamide (CID 20774377) is N-(3,3,4,4-tetramethylpentyl)methanesulfonamide.
What is the SMILES notation for N-(3,3,4,4-tetramethylpentyl)methanesulfonamide?
The canonical SMILES for N-(3,3,4,4-tetramethylpentyl)methanesulfonamide is CC(C)(C)C(C)(C)CCNS(C)(=O)=O.
What is the InChIKey of N-(3,3,4,4-tetramethylpentyl)methanesulfonamide?
The InChIKey is FWAUVPMTOKHWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-9(2,3)10(4,5)7-8-11-14(6,12)13/h11H,7-8H2,1-6H3.
What are the key properties of N-(3,3,4,4-tetramethylpentyl)methanesulfonamide?
N-(3,3,4,4-tetramethylpentyl)methanesulfonamide has a molecular weight of 221.37 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,4,4-tetramethylpentyl)methanesulfonamide is sourced from PubChem (CID 20774377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).