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

C11H15NO3S2 — CID 99859027

IUPACcis-(1S,2R)-2-methyl-N-(2-thiophen-2-ylethylsulfonyl)cyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@@H]1C(=O)NS(=O)(=O)CCc1cccs1
InChIInChI=1S/C11H15NO3S2/c1-8-7-10(8)11(13)12-17(14,15)6-4-9-3-2-5-16-9/h2-3,5,8,10H,4,6-7H2,1H3,(H,12,13)/t8-,10+/m1/s1
InChIKeyMNMJMXVUOFJBRD-SCZZXKLOSA-N
MW273.38 g/mol
LogP1.39
Rot. Bonds5

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

cis-(1S,2R)-2-methyl-N-(2-thiophen-2-ylethylsulfonyl)cyclopropane-1-carboxamide (PubChem CID 99859027) has the molecular formula C11H15NO3S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is cis-(1S,2R)-2-methyl-N-(2-thiophen-2-ylethylsulfonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-methyl-N-(2-thiophen-2-ylethylsulfonyl)cyclopropane-1-carboxamide
PubChem CID99859027
Molecular FormulaC11H15NO3S2
Molecular Weight273.38 g/mol
Exact Mass273.05
IUPAC Namecis-(1S,2R)-2-methyl-N-(2-thiophen-2-ylethylsulfonyl)cyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@@H]1C(=O)NS(=O)(=O)CCc1cccs1
InChIInChI=1S/C11H15NO3S2/c1-8-7-10(8)11(13)12-17(14,15)6-4-9-3-2-5-16-9/h2-3,5,8,10H,4,6-7H2,1H3,(H,12,13)/t8-,10+/m1/s1
InChIKeyMNMJMXVUOFJBRD-SCZZXKLOSA-N
XLogP1.39
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,2S)-2-methyl-N-(2-phenylethylsulfonyl)cyclopropane-1-carboxamide
CID 95329971
N-(4-methylpiperidin-3-yl)-2-thiophen-2-ylethanesulfonamide
CID 120876347
(2R,3R)-2-methyl-1-(2-thiophen-2-ylethylsulfonyl)piperidine-3-carboxylic acid
CID 122104892
N-piperidin-4-yl-2-thiophen-2-ylethanesulfonamide
CID 120874425
N-(2-methylpiperidin-3-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride
CID 120876612
2-[(2-thiophen-2-ylethylsulfonylamino)methyl]furan-3-carboxylic acid
CID 166266393
N-(2-aminoethyl)-2-thiophen-2-ylethanesulfonamide;hydrochloride
CID 120874392
N-[(1S)-2-amino-1-cyclopropylethyl]-2-thiophen-2-ylethanesulfonamide
CID 100627668
N-(1-amino-2-methylpropan-2-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride
CID 120874886
3-methyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 114278796
N-(3-cyanopropylsulfonyl)-3-thiophen-2-ylpropanamide
CID 84597060
2-[methyl(2-thiophen-2-ylethyl)amino]cyclobutane-1-carboxylic acid
CID 80996502

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-methyl-N-(2-thiophen-2-ylethylsulfonyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-methyl-N-(2-thiophen-2-ylethylsulfonyl)cyclopropane-1-carboxamide (CID 99859027) is cis-(1S,2R)-2-methyl-N-(2-thiophen-2-ylethylsulfonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-methyl-N-(2-thiophen-2-ylethylsulfonyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-methyl-N-(2-thiophen-2-ylethylsulfonyl)cyclopropane-1-carboxamide is C[C@@H]1C[C@@H]1C(=O)NS(=O)(=O)CCc1cccs1.
What is the InChIKey of cis-(1S,2R)-2-methyl-N-(2-thiophen-2-ylethylsulfonyl)cyclopropane-1-carboxamide?
The InChIKey is MNMJMXVUOFJBRD-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H15NO3S2/c1-8-7-10(8)11(13)12-17(14,15)6-4-9-3-2-5-16-9/h2-3,5,8,10H,4,6-7H2,1H3,(H,12,13)/t8-,10+/m1/s1.
What are the key properties of cis-(1S,2R)-2-methyl-N-(2-thiophen-2-ylethylsulfonyl)cyclopropane-1-carboxamide?
cis-(1S,2R)-2-methyl-N-(2-thiophen-2-ylethylsulfonyl)cyclopropane-1-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-methyl-N-(2-thiophen-2-ylethylsulfonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 99859027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).