N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide

C13H17NO3S — CID 36687848

IUPACN-[(1S)-1-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
SMILESC[C@H](NC(=O)C1CC1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C13H17NO3S/c1-9(14-13(15)11-3-4-11)10-5-7-12(8-6-10)18(2,16)17/h5-9,11H,3-4H2,1-2H3,(H,14,15)/t9-/m0/s1
InChIKeyVSXNGMPQSYXFDU-VIFPVBQESA-N
MW267.35 g/mol
LogP1.68
Rot. Bonds4

About N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide

N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide (PubChem CID 36687848) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
PubChem CID36687848
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC NameN-[(1S)-1-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
SMILESC[C@H](NC(=O)C1CC1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C13H17NO3S/c1-9(14-13(15)11-3-4-11)10-5-7-12(8-6-10)18(2,16)17/h5-9,11H,3-4H2,1-2H3,(H,14,15)/t9-/m0/s1
InChIKeyVSXNGMPQSYXFDU-VIFPVBQESA-N
XLogP1.68
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-1-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 124782893
1-(benzenesulfonyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide
CID 26957904
(2S)-N-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119274665
N-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 60711733
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 92510485
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 26468180
1-(1-cyclopropylethyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 134001825
1-(4-fluorophenyl)sulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-3-carboxamide
CID 133165865
(3S)-1-(4-chlorophenyl)sulfonyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]piperidine-3-carboxamide
CID 92821014
(2R)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide;hydrochloride
CID 119274664
N-[(1S)-1-(4-ethynylphenyl)ethyl]cyclopropanecarboxamide
CID 87085186

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide (CID 36687848) is N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide is C[C@H](NC(=O)C1CC1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide?
The InChIKey is VSXNGMPQSYXFDU-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17NO3S/c1-9(14-13(15)11-3-4-11)10-5-7-12(8-6-10)18(2,16)17/h5-9,11H,3-4H2,1-2H3,(H,14,15)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide?
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide has a molecular weight of 267.35 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 36687848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).