N-(2-methylbutylsulfonyl)cyclopropanecarboxamide

C9H17NO3S — CID 71931536

IUPACN-(2-methylbutylsulfonyl)cyclopropanecarboxamide
SMILESCCC(C)CS(=O)(=O)NC(=O)C1CC1
InChIInChI=1S/C9H17NO3S/c1-3-7(2)6-14(12,13)10-9(11)8-4-5-8/h7-8H,3-6H2,1-2H3,(H,10,11)
InChIKeyFWRYTYSBUKBSMO-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.89
Rot. Bonds5

About N-(2-methylbutylsulfonyl)cyclopropanecarboxamide

N-(2-methylbutylsulfonyl)cyclopropanecarboxamide (PubChem CID 71931536) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is N-(2-methylbutylsulfonyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2-methylbutylsulfonyl)cyclopropanecarboxamide
PubChem CID71931536
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC NameN-(2-methylbutylsulfonyl)cyclopropanecarboxamide
SMILESCCC(C)CS(=O)(=O)NC(=O)C1CC1
InChIInChI=1S/C9H17NO3S/c1-3-7(2)6-14(12,13)10-9(11)8-4-5-8/h7-8H,3-6H2,1-2H3,(H,10,11)
InChIKeyFWRYTYSBUKBSMO-UHFFFAOYSA-N
XLogP0.89
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutylsulfonyl)cyclopropanecarboxamide?
The IUPAC name of N-(2-methylbutylsulfonyl)cyclopropanecarboxamide (CID 71931536) is N-(2-methylbutylsulfonyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(2-methylbutylsulfonyl)cyclopropanecarboxamide?
The canonical SMILES for N-(2-methylbutylsulfonyl)cyclopropanecarboxamide is CCC(C)CS(=O)(=O)NC(=O)C1CC1.
What is the InChIKey of N-(2-methylbutylsulfonyl)cyclopropanecarboxamide?
The InChIKey is FWRYTYSBUKBSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-3-7(2)6-14(12,13)10-9(11)8-4-5-8/h7-8H,3-6H2,1-2H3,(H,10,11).
What are the key properties of N-(2-methylbutylsulfonyl)cyclopropanecarboxamide?
N-(2-methylbutylsulfonyl)cyclopropanecarboxamide has a molecular weight of 219.31 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutylsulfonyl)cyclopropanecarboxamide is sourced from PubChem (CID 71931536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).