2-methyl-N-(1-methylcyclopropyl)sulfonylbutanamide

C9H17NO3S — CID 70142092

IUPAC2-methyl-N-(1-methylcyclopropyl)sulfonylbutanamide
SMILESCCC(C)C(=O)NS(=O)(=O)C1(C)CC1
InChIInChI=1S/C9H17NO3S/c1-4-7(2)8(11)10-14(12,13)9(3)5-6-9/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyPVAPTLUXVWTLLS-UHFFFAOYSA-N
MW219.31 g/mol
LogP1.03
Rot. Bonds4

About 2-methyl-N-(1-methylcyclopropyl)sulfonylbutanamide

2-methyl-N-(1-methylcyclopropyl)sulfonylbutanamide (PubChem CID 70142092) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-methyl-N-(1-methylcyclopropyl)sulfonylbutanamide.

Molecular Properties

Compound Name2-methyl-N-(1-methylcyclopropyl)sulfonylbutanamide
PubChem CID70142092
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name2-methyl-N-(1-methylcyclopropyl)sulfonylbutanamide
SMILESCCC(C)C(=O)NS(=O)(=O)C1(C)CC1
InChIInChI=1S/C9H17NO3S/c1-4-7(2)8(11)10-14(12,13)9(3)5-6-9/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyPVAPTLUXVWTLLS-UHFFFAOYSA-N
XLogP1.03
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-methylcyclopropyl)sulfonylbutanamide?
The IUPAC name of 2-methyl-N-(1-methylcyclopropyl)sulfonylbutanamide (CID 70142092) is 2-methyl-N-(1-methylcyclopropyl)sulfonylbutanamide.
What is the SMILES notation for 2-methyl-N-(1-methylcyclopropyl)sulfonylbutanamide?
The canonical SMILES for 2-methyl-N-(1-methylcyclopropyl)sulfonylbutanamide is CCC(C)C(=O)NS(=O)(=O)C1(C)CC1.
What is the InChIKey of 2-methyl-N-(1-methylcyclopropyl)sulfonylbutanamide?
The InChIKey is PVAPTLUXVWTLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-4-7(2)8(11)10-14(12,13)9(3)5-6-9/h7H,4-6H2,1-3H3,(H,10,11).
What are the key properties of 2-methyl-N-(1-methylcyclopropyl)sulfonylbutanamide?
2-methyl-N-(1-methylcyclopropyl)sulfonylbutanamide has a molecular weight of 219.31 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-methylcyclopropyl)sulfonylbutanamide is sourced from PubChem (CID 70142092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).