(E)-3-(dimethylamino)-N-propan-2-ylprop-1-ene-1-sulfinamide

C8H18N2OS — CID 167322859

IUPAC(E)-3-(dimethylamino)-N-propan-2-ylprop-1-ene-1-sulfinamide
SMILESCC(C)NS(=O)/C=C/CN(C)C
InChIInChI=1S/C8H18N2OS/c1-8(2)9-12(11)7-5-6-10(3)4/h5,7-9H,6H2,1-4H3/b7-5+
InChIKeyWKRWBMKFLBRXGL-FNORWQNLSA-N
MW190.31 g/mol
LogP0.72
Rot. Bonds5

About (E)-3-(dimethylamino)-N-propan-2-ylprop-1-ene-1-sulfinamide

(E)-3-(dimethylamino)-N-propan-2-ylprop-1-ene-1-sulfinamide (PubChem CID 167322859) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is (E)-3-(dimethylamino)-N-propan-2-ylprop-1-ene-1-sulfinamide.

Molecular Properties

Compound Name(E)-3-(dimethylamino)-N-propan-2-ylprop-1-ene-1-sulfinamide
PubChem CID167322859
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC Name(E)-3-(dimethylamino)-N-propan-2-ylprop-1-ene-1-sulfinamide
SMILESCC(C)NS(=O)/C=C/CN(C)C
InChIInChI=1S/C8H18N2OS/c1-8(2)9-12(11)7-5-6-10(3)4/h5,7-9H,6H2,1-4H3/b7-5+
InChIKeyWKRWBMKFLBRXGL-FNORWQNLSA-N
XLogP0.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(dimethylamino)-N-propan-2-ylprop-1-ene-1-sulfinamide?
The IUPAC name of (E)-3-(dimethylamino)-N-propan-2-ylprop-1-ene-1-sulfinamide (CID 167322859) is (E)-3-(dimethylamino)-N-propan-2-ylprop-1-ene-1-sulfinamide.
What is the SMILES notation for (E)-3-(dimethylamino)-N-propan-2-ylprop-1-ene-1-sulfinamide?
The canonical SMILES for (E)-3-(dimethylamino)-N-propan-2-ylprop-1-ene-1-sulfinamide is CC(C)NS(=O)/C=C/CN(C)C.
What is the InChIKey of (E)-3-(dimethylamino)-N-propan-2-ylprop-1-ene-1-sulfinamide?
The InChIKey is WKRWBMKFLBRXGL-FNORWQNLSA-N. The full InChI is InChI=1S/C8H18N2OS/c1-8(2)9-12(11)7-5-6-10(3)4/h5,7-9H,6H2,1-4H3/b7-5+.
What are the key properties of (E)-3-(dimethylamino)-N-propan-2-ylprop-1-ene-1-sulfinamide?
(E)-3-(dimethylamino)-N-propan-2-ylprop-1-ene-1-sulfinamide has a molecular weight of 190.31 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(dimethylamino)-N-propan-2-ylprop-1-ene-1-sulfinamide is sourced from PubChem (CID 167322859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).