cis-(1R,2S)-N-methyl-2-(2-methylphenyl)-N-(1-oxothian-4-yl)cyclopropane-1-carboxamide

C17H23NO2S — CID 96570480

IUPACcis-(1R,2S)-N-methyl-2-(2-methylphenyl)-N-(1-oxothian-4-yl)cyclopropane-1-carboxamide
SMILESCc1ccccc1[C@H]1C[C@H]1C(=O)N(C)C1CCS(=O)CC1
InChIInChI=1S/C17H23NO2S/c1-12-5-3-4-6-14(12)15-11-16(15)17(19)18(2)13-7-9-21(20)10-8-13/h3-6,13,15-16H,7-11H2,1-2H3/t13?,15-,16-,21?/m1/s1
InChIKeyVRQRUESZRZDLEU-FCMDLWKCSA-N
MW305.44 g/mol
LogP2.47
Rot. Bonds3

About cis-(1R,2S)-N-methyl-2-(2-methylphenyl)-N-(1-oxothian-4-yl)cyclopropane-1-carboxamide

cis-(1R,2S)-N-methyl-2-(2-methylphenyl)-N-(1-oxothian-4-yl)cyclopropane-1-carboxamide (PubChem CID 96570480) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is cis-(1R,2S)-N-methyl-2-(2-methylphenyl)-N-(1-oxothian-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-methyl-2-(2-methylphenyl)-N-(1-oxothian-4-yl)cyclopropane-1-carboxamide
PubChem CID96570480
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC Namecis-(1R,2S)-N-methyl-2-(2-methylphenyl)-N-(1-oxothian-4-yl)cyclopropane-1-carboxamide
SMILESCc1ccccc1[C@H]1C[C@H]1C(=O)N(C)C1CCS(=O)CC1
InChIInChI=1S/C17H23NO2S/c1-12-5-3-4-6-14(12)15-11-16(15)17(19)18(2)13-7-9-21(20)10-8-13/h3-6,13,15-16H,7-11H2,1-2H3/t13?,15-,16-,21?/m1/s1
InChIKeyVRQRUESZRZDLEU-FCMDLWKCSA-N
XLogP2.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze cis-(1R,2S)-N-methyl-2-(2-methylphenyl)-N-(1-oxothian-4-yl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dibenzo(c,e)thiepin-5-carboxamide, 5,7-dihydro-N,N-dimethyl-, 6,6-dioxide
CID 3066363
3-(Benzylsulfonyl)-1-(2-methylpiperidin-1-yl)propan-1-one
CID 6488979
1-[3-(Benzylsulfonyl)propanoyl]-3-methylpiperidine
CID 2975730
2-(Cyclopentylthio)-1-(4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl)ethanone
CID 45587446
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(2-methylphenyl)acetamide
CID 45855023
3,4-dihydro-1H-isothiochromen-1-yl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 71870720
1-[2-(2,3-Dimethylphenyl)piperidin-1-yl]-4-methylsulfonylbutan-1-one
CID 71993890
N-cyclopropyl-3-(3-fluorophenyl)-N-(1-methylsulfonylpropan-2-yl)propanamide
CID 72015461
2-[4-(2-Methylpropyl)phenyl]-1-thiomorpholin-4-ylpropan-1-one
CID 127036945
4-[3-(2-Methylphenyl)-3-phenylpropanoyl]thiomorpholine
CID 45227801
4-Methyl-8-[(1-phenylcyclopropyl)carbonyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one 1-oxide
CID 91909774
4-Methyl-8-(4-phenylbutanoyl)-1lambda-thia-4,8-diazaspiro[4.5]decane-1,3-dione
CID 91920524

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-methyl-2-(2-methylphenyl)-N-(1-oxothian-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-methyl-2-(2-methylphenyl)-N-(1-oxothian-4-yl)cyclopropane-1-carboxamide (CID 96570480) is cis-(1R,2S)-N-methyl-2-(2-methylphenyl)-N-(1-oxothian-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-methyl-2-(2-methylphenyl)-N-(1-oxothian-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-methyl-2-(2-methylphenyl)-N-(1-oxothian-4-yl)cyclopropane-1-carboxamide is Cc1ccccc1[C@H]1C[C@H]1C(=O)N(C)C1CCS(=O)CC1.
What is the InChIKey of cis-(1R,2S)-N-methyl-2-(2-methylphenyl)-N-(1-oxothian-4-yl)cyclopropane-1-carboxamide?
The InChIKey is VRQRUESZRZDLEU-FCMDLWKCSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-12-5-3-4-6-14(12)15-11-16(15)17(19)18(2)13-7-9-21(20)10-8-13/h3-6,13,15-16H,7-11H2,1-2H3/t13?,15-,16-,21?/m1/s1.
What are the key properties of cis-(1R,2S)-N-methyl-2-(2-methylphenyl)-N-(1-oxothian-4-yl)cyclopropane-1-carboxamide?
cis-(1R,2S)-N-methyl-2-(2-methylphenyl)-N-(1-oxothian-4-yl)cyclopropane-1-carboxamide has a molecular weight of 305.44 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-methyl-2-(2-methylphenyl)-N-(1-oxothian-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 96570480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).