N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide

C9H21NO2S — CID 19681856

IUPACN-(2,4,4-trimethylpentan-2-yl)methanesulfonamide
SMILESCC(C)(C)CC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C9H21NO2S/c1-8(2,3)7-9(4,5)10-13(6,11)12/h10H,7H2,1-6H3
InChIKeyYDGWZTQORFEMST-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.75
Rot. Bonds3

About N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide

N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide (PubChem CID 19681856) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2,4,4-trimethylpentan-2-yl)methanesulfonamide
PubChem CID19681856
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC NameN-(2,4,4-trimethylpentan-2-yl)methanesulfonamide
SMILESCC(C)(C)CC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C9H21NO2S/c1-8(2,3)7-9(4,5)10-13(6,11)12/h10H,7H2,1-6H3
InChIKeyYDGWZTQORFEMST-UHFFFAOYSA-N
XLogP1.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-trifluoro-N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide
CID 117063866
N-(tert-butylsulfamoyl)-2,4,4-trimethylpentan-2-amine
CID 12708049
N-(2,4,4-Trimethylpentan-2-yl)ethenesulfonamide
CID 17748074
N-(2,3,3,4,4-pentamethylpentan-2-yl)methanesulfonamide
CID 18681650
2,2,4-Trimethyl-4-(sulfinatoamino)pentane
CID 19988469
N-(4,4-dimethylpentyl)methanesulfonamide
CID 20776366
N-(2,3,3-trimethylbutan-2-yl)methanesulfonamide
CID 21137048
N-[1-(2-methylpropyl)cyclopropyl]methanesulfonamide
CID 57938960
N-(2,4-dimethylpentan-2-yl)methanesulfonamide
CID 58970695
N-(2,5-dimethylhexan-2-yl)methanesulfonamide
CID 59496087
N-(2,4,4-trimethylpentan-2-yl)propane-2-sulfonamide
CID 61361025
sodium N-(2,4,4-trimethylpentan-2-yl)sulfamate
CID 87409614

Frequently Asked Questions

What is the IUPAC name of N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide?
The IUPAC name of N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide (CID 19681856) is N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide?
The canonical SMILES for N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide is CC(C)(C)CC(C)(C)NS(C)(=O)=O.
What is the InChIKey of N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide?
The InChIKey is YDGWZTQORFEMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-8(2,3)7-9(4,5)10-13(6,11)12/h10H,7H2,1-6H3.
What are the key properties of N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide?
N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide has a molecular weight of 207.34 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide is sourced from PubChem (CID 19681856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).