(NE)-2-methyl-N-[(E)-pent-3-en-2-ylidene]propane-2-sulfinamide

C9H17NOS — CID 177424024

IUPAC(NE)-2-methyl-N-[(E)-pent-3-en-2-ylidene]propane-2-sulfinamide
SMILESC/C=C/C(C)=N/S(=O)C(C)(C)C
InChIInChI=1S/C9H17NOS/c1-6-7-8(2)10-12(11)9(3,4)5/h6-7H,1-5H3/b7-6+,10-8+
InChIKeyDRWBGRCRXWKVAE-LQPGMRSMSA-N
MW187.31 g/mol
LogP2.49
Rot. Bonds2

About (NE)-2-methyl-N-[(E)-pent-3-en-2-ylidene]propane-2-sulfinamide

(NE)-2-methyl-N-[(E)-pent-3-en-2-ylidene]propane-2-sulfinamide (PubChem CID 177424024) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is (NE)-2-methyl-N-[(E)-pent-3-en-2-ylidene]propane-2-sulfinamide.

Molecular Properties

Compound Name(NE)-2-methyl-N-[(E)-pent-3-en-2-ylidene]propane-2-sulfinamide
PubChem CID177424024
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name(NE)-2-methyl-N-[(E)-pent-3-en-2-ylidene]propane-2-sulfinamide
SMILESC/C=C/C(C)=N/S(=O)C(C)(C)C
InChIInChI=1S/C9H17NOS/c1-6-7-8(2)10-12(11)9(3,4)5/h6-7H,1-5H3/b7-6+,10-8+
InChIKeyDRWBGRCRXWKVAE-LQPGMRSMSA-N
XLogP2.49
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 52.49
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)-2-methyl-N-[(E)-pent-3-en-2-ylidene]propane-2-sulfinamide?
The IUPAC name of (NE)-2-methyl-N-[(E)-pent-3-en-2-ylidene]propane-2-sulfinamide (CID 177424024) is (NE)-2-methyl-N-[(E)-pent-3-en-2-ylidene]propane-2-sulfinamide.
What is the SMILES notation for (NE)-2-methyl-N-[(E)-pent-3-en-2-ylidene]propane-2-sulfinamide?
The canonical SMILES for (NE)-2-methyl-N-[(E)-pent-3-en-2-ylidene]propane-2-sulfinamide is C/C=C/C(C)=N/S(=O)C(C)(C)C.
What is the InChIKey of (NE)-2-methyl-N-[(E)-pent-3-en-2-ylidene]propane-2-sulfinamide?
The InChIKey is DRWBGRCRXWKVAE-LQPGMRSMSA-N. The full InChI is InChI=1S/C9H17NOS/c1-6-7-8(2)10-12(11)9(3,4)5/h6-7H,1-5H3/b7-6+,10-8+.
What are the key properties of (NE)-2-methyl-N-[(E)-pent-3-en-2-ylidene]propane-2-sulfinamide?
(NE)-2-methyl-N-[(E)-pent-3-en-2-ylidene]propane-2-sulfinamide has a molecular weight of 187.31 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-2-methyl-N-[(E)-pent-3-en-2-ylidene]propane-2-sulfinamide is sourced from PubChem (CID 177424024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).