N-methyl-1-methylsulfonyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide

C11H16N2O3S2 — CID 146083931

IUPACN-methyl-1-methylsulfonyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1ncc(CN(C)C(=O)C2(S(C)(=O)=O)CC2)s1
InChIInChI=1S/C11H16N2O3S2/c1-8-12-6-9(17-8)7-13(2)10(14)11(4-5-11)18(3,15)16/h6H,4-5,7H2,1-3H3
InChIKeyIEIMEJXZWFLJFE-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.99
Rot. Bonds4

About N-methyl-1-methylsulfonyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide

N-methyl-1-methylsulfonyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 146083931) has the molecular formula C11H16N2O3S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-methyl-1-methylsulfonyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-1-methylsulfonyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide
PubChem CID146083931
Molecular FormulaC11H16N2O3S2
Molecular Weight288.39 g/mol
Exact Mass288.06
IUPAC NameN-methyl-1-methylsulfonyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1ncc(CN(C)C(=O)C2(S(C)(=O)=O)CC2)s1
InChIInChI=1S/C11H16N2O3S2/c1-8-12-6-9(17-8)7-13(2)10(14)11(4-5-11)18(3,15)16/h6H,4-5,7H2,1-3H3
InChIKeyIEIMEJXZWFLJFE-UHFFFAOYSA-N
XLogP0.99
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-methylsulfonyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]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

2-amino-N,1-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carboxamide
CID 82763796
4-methoxy-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119859315
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-enamide
CID 60949049
2-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 107904478
2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]acetic acid
CID 60951190
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-2-carboxamide
CID 54872657
(2S)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119859306
3,5-dibromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 113349585
2-hydroxyethyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate
CID 79346230
(2S)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119859299
1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclooctane-1-carboxylic acid
CID 80610832
2,2,2-trifluoroethyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate
CID 61067669

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-methylsulfonyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of N-methyl-1-methylsulfonyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide (CID 146083931) is N-methyl-1-methylsulfonyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-methyl-1-methylsulfonyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-methyl-1-methylsulfonyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide is Cc1ncc(CN(C)C(=O)C2(S(C)(=O)=O)CC2)s1.
What is the InChIKey of N-methyl-1-methylsulfonyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is IEIMEJXZWFLJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S2/c1-8-12-6-9(17-8)7-13(2)10(14)11(4-5-11)18(3,15)16/h6H,4-5,7H2,1-3H3.
What are the key properties of N-methyl-1-methylsulfonyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide?
N-methyl-1-methylsulfonyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-methylsulfonyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 146083931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).