2-methyl-N-(1-methylcyclopropyl)but-3-ene-2-sulfinamide

C9H17NOS — CID 118196149

IUPAC2-methyl-N-(1-methylcyclopropyl)but-3-ene-2-sulfinamide
SMILESC=CC(C)(C)S(=O)NC1(C)CC1
InChIInChI=1S/C9H17NOS/c1-5-8(2,3)12(11)10-9(4)6-7-9/h5,10H,1,6-7H2,2-4H3
InChIKeyYFUMIDQZAUGHON-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.76
Rot. Bonds4

About 2-methyl-N-(1-methylcyclopropyl)but-3-ene-2-sulfinamide

2-methyl-N-(1-methylcyclopropyl)but-3-ene-2-sulfinamide (PubChem CID 118196149) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is 2-methyl-N-(1-methylcyclopropyl)but-3-ene-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-(1-methylcyclopropyl)but-3-ene-2-sulfinamide
PubChem CID118196149
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name2-methyl-N-(1-methylcyclopropyl)but-3-ene-2-sulfinamide
SMILESC=CC(C)(C)S(=O)NC1(C)CC1
InChIInChI=1S/C9H17NOS/c1-5-8(2,3)12(11)10-9(4)6-7-9/h5,10H,1,6-7H2,2-4H3
InChIKeyYFUMIDQZAUGHON-UHFFFAOYSA-N
XLogP1.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-methylcyclopropyl)but-3-ene-2-sulfinamide?
The IUPAC name of 2-methyl-N-(1-methylcyclopropyl)but-3-ene-2-sulfinamide (CID 118196149) is 2-methyl-N-(1-methylcyclopropyl)but-3-ene-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-(1-methylcyclopropyl)but-3-ene-2-sulfinamide?
The canonical SMILES for 2-methyl-N-(1-methylcyclopropyl)but-3-ene-2-sulfinamide is C=CC(C)(C)S(=O)NC1(C)CC1.
What is the InChIKey of 2-methyl-N-(1-methylcyclopropyl)but-3-ene-2-sulfinamide?
The InChIKey is YFUMIDQZAUGHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-5-8(2,3)12(11)10-9(4)6-7-9/h5,10H,1,6-7H2,2-4H3.
What are the key properties of 2-methyl-N-(1-methylcyclopropyl)but-3-ene-2-sulfinamide?
2-methyl-N-(1-methylcyclopropyl)but-3-ene-2-sulfinamide has a molecular weight of 187.31 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-methylcyclopropyl)but-3-ene-2-sulfinamide is sourced from PubChem (CID 118196149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).