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

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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).