N-(2-methylbutylsulfonyl)cyclobutanecarboxamide

C10H19NO3S — CID 71931535

IUPACN-(2-methylbutylsulfonyl)cyclobutanecarboxamide
SMILESCCC(C)CS(=O)(=O)NC(=O)C1CCC1
InChIInChI=1S/C10H19NO3S/c1-3-8(2)7-15(13,14)11-10(12)9-5-4-6-9/h8-9H,3-7H2,1-2H3,(H,11,12)
InChIKeyDNOUFEQPFXKFDX-UHFFFAOYSA-N
MW233.33 g/mol
LogP1.28
Rot. Bonds5

About N-(2-methylbutylsulfonyl)cyclobutanecarboxamide

N-(2-methylbutylsulfonyl)cyclobutanecarboxamide (PubChem CID 71931535) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is N-(2-methylbutylsulfonyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(2-methylbutylsulfonyl)cyclobutanecarboxamide
PubChem CID71931535
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC NameN-(2-methylbutylsulfonyl)cyclobutanecarboxamide
SMILESCCC(C)CS(=O)(=O)NC(=O)C1CCC1
InChIInChI=1S/C10H19NO3S/c1-3-8(2)7-15(13,14)11-10(12)9-5-4-6-9/h8-9H,3-7H2,1-2H3,(H,11,12)
InChIKeyDNOUFEQPFXKFDX-UHFFFAOYSA-N
XLogP1.28
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-methylbutyl]sulfonylcyclopropanecarboxamide
CID 97025394
(1R)-N-[(2S)-2-methylpentyl]sulfonylcyclohex-3-ene-1-carboxamide
CID 96531042
N-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]cyclobutanecarboxamide
CID 71934065
1-cyclopentyl-2-(2-methylbutylsulfonyl)ethanone
CID 107767727
N-(2-methylbutylsulfonyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 102554600
N-pentan-3-ylsulfonylcyclopropanecarboxamide
CID 71931362
N-methylsulfonylcyclopentanecarboxamide
CID 70165379
(2S)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-methylbutane-1-sulfonamide
CID 124727118
N-[2-(butan-2-ylamino)-2-oxoethyl]cyclobutanecarboxamide
CID 112990807
2-methyl-N-methylsulfonylbutane-1-sulfonamide
CID 158232370
(1R)-N-[(2S)-2-methylbutyl]sulfonyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 99714701
N-butan-2-ylcyclooctanecarboxamide
CID 65022908

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutylsulfonyl)cyclobutanecarboxamide?
The IUPAC name of N-(2-methylbutylsulfonyl)cyclobutanecarboxamide (CID 71931535) is N-(2-methylbutylsulfonyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(2-methylbutylsulfonyl)cyclobutanecarboxamide?
The canonical SMILES for N-(2-methylbutylsulfonyl)cyclobutanecarboxamide is CCC(C)CS(=O)(=O)NC(=O)C1CCC1.
What is the InChIKey of N-(2-methylbutylsulfonyl)cyclobutanecarboxamide?
The InChIKey is DNOUFEQPFXKFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-3-8(2)7-15(13,14)11-10(12)9-5-4-6-9/h8-9H,3-7H2,1-2H3,(H,11,12).
What are the key properties of N-(2-methylbutylsulfonyl)cyclobutanecarboxamide?
N-(2-methylbutylsulfonyl)cyclobutanecarboxamide has a molecular weight of 233.33 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutylsulfonyl)cyclobutanecarboxamide is sourced from PubChem (CID 71931535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).