N-[(2S)-2-methylbutyl]sulfonylcyclopropanecarboxamide

C9H17NO3S — CID 97025394

IUPACN-[(2S)-2-methylbutyl]sulfonylcyclopropanecarboxamide
SMILESCC[C@H](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)/t7-/m0/s1
InChIKeyFWRYTYSBUKBSMO-ZETCQYMHSA-N
MW219.31 g/mol
LogP0.89
Rot. Bonds5

About N-[(2S)-2-methylbutyl]sulfonylcyclopropanecarboxamide

N-[(2S)-2-methylbutyl]sulfonylcyclopropanecarboxamide (PubChem CID 97025394) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is N-[(2S)-2-methylbutyl]sulfonylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-2-methylbutyl]sulfonylcyclopropanecarboxamide
PubChem CID97025394
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC NameN-[(2S)-2-methylbutyl]sulfonylcyclopropanecarboxamide
SMILESCC[C@H](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)/t7-/m0/s1
InChIKeyFWRYTYSBUKBSMO-ZETCQYMHSA-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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Related Compounds

N-(2-methylbutylsulfonyl)cyclobutanecarboxamide
CID 71931535
N-pentan-3-ylsulfonylcyclopropanecarboxamide
CID 71931362
(1R)-N-[(2S)-2-methylpentyl]sulfonylcyclohex-3-ene-1-carboxamide
CID 96531042
N-(2-methylbutylsulfonyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 102554600
2-methyl-N-methylsulfonylbutane-1-sulfonamide
CID 158232370
1-cyclopentyl-2-(2-methylbutylsulfonyl)ethanone
CID 107767727
N-[2-[[(2S)-2-methylbutyl]amino]ethyl]cyclopropanecarboxamide
CID 97095660
cis-(1S,2R)-2-methyl-N-(2-methylpropylsulfonyl)cyclopropane-1-carboxamide
CID 97022980
N-[(2R)-2-methylbutyl]sulfonylthiophene-2-carboxamide
CID 96531023
(2S)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-methylbutane-1-sulfonamide
CID 124727118
N-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]cyclobutanecarboxamide
CID 71934065
N-[(2R)-2-methylbutyl]sulfonyl-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide
CID 99718542

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-methylbutyl]sulfonylcyclopropanecarboxamide?
The IUPAC name of N-[(2S)-2-methylbutyl]sulfonylcyclopropanecarboxamide (CID 97025394) is N-[(2S)-2-methylbutyl]sulfonylcyclopropanecarboxamide.
What is the SMILES notation for N-[(2S)-2-methylbutyl]sulfonylcyclopropanecarboxamide?
The canonical SMILES for N-[(2S)-2-methylbutyl]sulfonylcyclopropanecarboxamide is CC[C@H](C)CS(=O)(=O)NC(=O)C1CC1.
What is the InChIKey of N-[(2S)-2-methylbutyl]sulfonylcyclopropanecarboxamide?
The InChIKey is FWRYTYSBUKBSMO-ZETCQYMHSA-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)/t7-/m0/s1.
What are the key properties of N-[(2S)-2-methylbutyl]sulfonylcyclopropanecarboxamide?
N-[(2S)-2-methylbutyl]sulfonylcyclopropanecarboxamide 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-[(2S)-2-methylbutyl]sulfonylcyclopropanecarboxamide is sourced from PubChem (CID 97025394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).