1-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclopropane-1-sulfonamide

C12H20N2O2S2 — CID 128570397

IUPAC1-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclopropane-1-sulfonamide
SMILESCC(C)c1nc(CCNS(=O)(=O)C2(C)CC2)cs1
InChIInChI=1S/C12H20N2O2S2/c1-9(2)11-14-10(8-17-11)4-7-13-18(15,16)12(3)5-6-12/h8-9,13H,4-7H2,1-3H3
InChIKeyDFLQVUOCWOXLTR-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.28
Rot. Bonds6

About 1-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclopropane-1-sulfonamide

1-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclopropane-1-sulfonamide (PubChem CID 128570397) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclopropane-1-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclopropane-1-sulfonamide
PubChem CID128570397
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC Name1-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclopropane-1-sulfonamide
SMILESCC(C)c1nc(CCNS(=O)(=O)C2(C)CC2)cs1
InChIInChI=1S/C12H20N2O2S2/c1-9(2)11-14-10(8-17-11)4-7-13-18(15,16)12(3)5-6-12/h8-9,13H,4-7H2,1-3H3
InChIKeyDFLQVUOCWOXLTR-UHFFFAOYSA-N
XLogP2.28
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclopropane-1-sulfonamide?
The IUPAC name of 1-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclopropane-1-sulfonamide (CID 128570397) is 1-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclopropane-1-sulfonamide.
What is the SMILES notation for 1-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclopropane-1-sulfonamide?
The canonical SMILES for 1-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclopropane-1-sulfonamide is CC(C)c1nc(CCNS(=O)(=O)C2(C)CC2)cs1.
What is the InChIKey of 1-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclopropane-1-sulfonamide?
The InChIKey is DFLQVUOCWOXLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-9(2)11-14-10(8-17-11)4-7-13-18(15,16)12(3)5-6-12/h8-9,13H,4-7H2,1-3H3.
What are the key properties of 1-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclopropane-1-sulfonamide?
1-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclopropane-1-sulfonamide has a molecular weight of 288.44 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclopropane-1-sulfonamide is sourced from PubChem (CID 128570397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).