cis-(1S,2R)-2-methyl-N-(2-methylpropylsulfonyl)cyclopropane-1-carboxamide

C9H17NO3S — CID 97022980

IUPACcis-(1S,2R)-2-methyl-N-(2-methylpropylsulfonyl)cyclopropane-1-carboxamide
SMILESCC(C)CS(=O)(=O)NC(=O)[C@H]1C[C@H]1C
InChIInChI=1S/C9H17NO3S/c1-6(2)5-14(12,13)10-9(11)8-4-7(8)3/h6-8H,4-5H2,1-3H3,(H,10,11)/t7-,8+/m1/s1
InChIKeyPYUNTHCIOGKZAE-SFYZADRCSA-N
MW219.31 g/mol
LogP0.74
Rot. Bonds4

About cis-(1S,2R)-2-methyl-N-(2-methylpropylsulfonyl)cyclopropane-1-carboxamide

cis-(1S,2R)-2-methyl-N-(2-methylpropylsulfonyl)cyclopropane-1-carboxamide (PubChem CID 97022980) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is cis-(1S,2R)-2-methyl-N-(2-methylpropylsulfonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-methyl-N-(2-methylpropylsulfonyl)cyclopropane-1-carboxamide
PubChem CID97022980
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Namecis-(1S,2R)-2-methyl-N-(2-methylpropylsulfonyl)cyclopropane-1-carboxamide
SMILESCC(C)CS(=O)(=O)NC(=O)[C@H]1C[C@H]1C
InChIInChI=1S/C9H17NO3S/c1-6(2)5-14(12,13)10-9(11)8-4-7(8)3/h6-8H,4-5H2,1-3H3,(H,10,11)/t7-,8+/m1/s1
InChIKeyPYUNTHCIOGKZAE-SFYZADRCSA-N
XLogP0.74
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 ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-methyl-N-(2-phenylethylsulfonyl)cyclopropane-1-carboxamide
CID 95329971
cis-(1R,3S)-3-(2-methylpropylsulfonylamino)cyclopentane-1-carboxylic acid
CID 106321503
N-[(2R)-2-hydroxypropyl]-2-methylcyclopropane-1-carboxamide
CID 83032173
cis-(1S,2R)-2-methyl-N-(2-thiophen-2-ylethylsulfonyl)cyclopropane-1-carboxamide
CID 99859027
trans-(1R,2R)-N-[2-(ethylsulfonylamino)ethyl]-2-methylcyclopropane-1-carboxamide
CID 94816215
N-[(2S)-2-methylbutyl]sulfonylcyclopropanecarboxamide
CID 97025394
trans-(1S,2S)-N-(2-ethylbutylsulfonyl)-2-nitrocyclopropane-1-carboxamide
CID 96532492
(2R)-3-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid
CID 80747756
N-(2-hydroxy-3-methylbutyl)-2-methylcyclopropane-1-carboxamide
CID 115701552
(2S)-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid
CID 61131550
methyl 4-methyl-2-[(2-methylcyclopropanecarbonyl)amino]pentanoate
CID 43404380
2,3-dimethyl-2-[(2-methylcyclopropanecarbonyl)amino]butanoic acid
CID 115910203

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-methyl-N-(2-methylpropylsulfonyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-methyl-N-(2-methylpropylsulfonyl)cyclopropane-1-carboxamide (CID 97022980) is cis-(1S,2R)-2-methyl-N-(2-methylpropylsulfonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-methyl-N-(2-methylpropylsulfonyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-methyl-N-(2-methylpropylsulfonyl)cyclopropane-1-carboxamide is CC(C)CS(=O)(=O)NC(=O)[C@H]1C[C@H]1C.
What is the InChIKey of cis-(1S,2R)-2-methyl-N-(2-methylpropylsulfonyl)cyclopropane-1-carboxamide?
The InChIKey is PYUNTHCIOGKZAE-SFYZADRCSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-6(2)5-14(12,13)10-9(11)8-4-7(8)3/h6-8H,4-5H2,1-3H3,(H,10,11)/t7-,8+/m1/s1.
What are the key properties of cis-(1S,2R)-2-methyl-N-(2-methylpropylsulfonyl)cyclopropane-1-carboxamide?
cis-(1S,2R)-2-methyl-N-(2-methylpropylsulfonyl)cyclopropane-1-carboxamide has a molecular weight of 219.31 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-methyl-N-(2-methylpropylsulfonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 97022980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).