N-(3-methylpentan-2-yl)methanesulfonamide

C7H17NO2S — CID 61395291

IUPACN-(3-methylpentan-2-yl)methanesulfonamide
SMILESCCC(C)C(C)NS(C)(=O)=O
InChIInChI=1S/C7H17NO2S/c1-5-6(2)7(3)8-11(4,9)10/h6-8H,5H2,1-4H3
InChIKeyIRONVJSWKBONHB-UHFFFAOYSA-N
MW179.28 g/mol
LogP0.97
Rot. Bonds4

About N-(3-methylpentan-2-yl)methanesulfonamide

N-(3-methylpentan-2-yl)methanesulfonamide (PubChem CID 61395291) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is N-(3-methylpentan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-methylpentan-2-yl)methanesulfonamide
PubChem CID61395291
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC NameN-(3-methylpentan-2-yl)methanesulfonamide
SMILESCCC(C)C(C)NS(C)(=O)=O
InChIInChI=1S/C7H17NO2S/c1-5-6(2)7(3)8-11(4,9)10/h6-8H,5H2,1-4H3
InChIKeyIRONVJSWKBONHB-UHFFFAOYSA-N
XLogP0.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylpentan-2-yl)methanesulfonamide?
The IUPAC name of N-(3-methylpentan-2-yl)methanesulfonamide (CID 61395291) is N-(3-methylpentan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(3-methylpentan-2-yl)methanesulfonamide?
The canonical SMILES for N-(3-methylpentan-2-yl)methanesulfonamide is CCC(C)C(C)NS(C)(=O)=O.
What is the InChIKey of N-(3-methylpentan-2-yl)methanesulfonamide?
The InChIKey is IRONVJSWKBONHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-5-6(2)7(3)8-11(4,9)10/h6-8H,5H2,1-4H3.
What are the key properties of N-(3-methylpentan-2-yl)methanesulfonamide?
N-(3-methylpentan-2-yl)methanesulfonamide has a molecular weight of 179.28 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpentan-2-yl)methanesulfonamide is sourced from PubChem (CID 61395291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).