(NE,S)-2-methyl-N-propylidenepropane-2-sulfinamide

C7H15NOS — CID 135084343

IUPAC(NE,S)-2-methyl-N-propylidenepropane-2-sulfinamide
SMILESCC/C=N/[S@@](=O)C(C)(C)C
InChIInChI=1S/C7H15NOS/c1-5-6-8-10(9)7(2,3)4/h6H,5H2,1-4H3/b8-6+/t10-/m0/s1
InChIKeyNEOIAXZAEPWSIA-PCGIRMHASA-N
MW161.27 g/mol
LogP1.93
Rot. Bonds2

About (NE,S)-2-methyl-N-propylidenepropane-2-sulfinamide

(NE,S)-2-methyl-N-propylidenepropane-2-sulfinamide (PubChem CID 135084343) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is (NE,S)-2-methyl-N-propylidenepropane-2-sulfinamide.

Molecular Properties

Compound Name(NE,S)-2-methyl-N-propylidenepropane-2-sulfinamide
PubChem CID135084343
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name(NE,S)-2-methyl-N-propylidenepropane-2-sulfinamide
SMILESCC/C=N/[S@@](=O)C(C)(C)C
InChIInChI=1S/C7H15NOS/c1-5-6-8-10(9)7(2,3)4/h6H,5H2,1-4H3/b8-6+/t10-/m0/s1
InChIKeyNEOIAXZAEPWSIA-PCGIRMHASA-N
XLogP1.93
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE,S)-2-methyl-N-propylidenepropane-2-sulfinamide?
The IUPAC name of (NE,S)-2-methyl-N-propylidenepropane-2-sulfinamide (CID 135084343) is (NE,S)-2-methyl-N-propylidenepropane-2-sulfinamide.
What is the SMILES notation for (NE,S)-2-methyl-N-propylidenepropane-2-sulfinamide?
The canonical SMILES for (NE,S)-2-methyl-N-propylidenepropane-2-sulfinamide is CC/C=N/[S@@](=O)C(C)(C)C.
What is the InChIKey of (NE,S)-2-methyl-N-propylidenepropane-2-sulfinamide?
The InChIKey is NEOIAXZAEPWSIA-PCGIRMHASA-N. The full InChI is InChI=1S/C7H15NOS/c1-5-6-8-10(9)7(2,3)4/h6H,5H2,1-4H3/b8-6+/t10-/m0/s1.
What are the key properties of (NE,S)-2-methyl-N-propylidenepropane-2-sulfinamide?
(NE,S)-2-methyl-N-propylidenepropane-2-sulfinamide has a molecular weight of 161.27 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,S)-2-methyl-N-propylidenepropane-2-sulfinamide is sourced from PubChem (CID 135084343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).