N-[1-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide

C14H24N2OS2 — CID 90204130

IUPACN-[1-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCc1cnc(C(C)(CC2CC2)NS(=O)C(C)(C)C)s1
InChIInChI=1S/C14H24N2OS2/c1-10-9-15-12(18-10)14(5,8-11-6-7-11)16-19(17)13(2,3)4/h9,11,16H,6-8H2,1-5H3
InChIKeyABRGYWWOPVFCIG-UHFFFAOYSA-N
MW300.49 g/mol
LogP3.52
Rot. Bonds5

About N-[1-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide

N-[1-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide (PubChem CID 90204130) has the molecular formula C14H24N2OS2 and a molecular weight of 300.49 g/mol. Its IUPAC name is N-[1-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[1-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide
PubChem CID90204130
Molecular FormulaC14H24N2OS2
Molecular Weight300.49 g/mol
Exact Mass300.13
IUPAC NameN-[1-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCc1cnc(C(C)(CC2CC2)NS(=O)C(C)(C)C)s1
InChIInChI=1S/C14H24N2OS2/c1-10-9-15-12(18-10)14(5,8-11-6-7-11)16-19(17)13(2,3)4/h9,11,16H,6-8H2,1-5H3
InChIKeyABRGYWWOPVFCIG-UHFFFAOYSA-N
XLogP3.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[1-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide (CID 90204130) is N-[1-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[1-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[1-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide is Cc1cnc(C(C)(CC2CC2)NS(=O)C(C)(C)C)s1.
What is the InChIKey of N-[1-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is ABRGYWWOPVFCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS2/c1-10-9-15-12(18-10)14(5,8-11-6-7-11)16-19(17)13(2,3)4/h9,11,16H,6-8H2,1-5H3.
What are the key properties of N-[1-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide?
N-[1-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 300.49 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 90204130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).