(R)-2-methyl-N-undecan-6-ylidenepropane-2-sulfinamide

C15H31NOS — CID 11242779

IUPAC(R)-2-methyl-N-undecan-6-ylidenepropane-2-sulfinamide
SMILESCCCCCC(CCCCC)=N[S@](=O)C(C)(C)C
InChIInChI=1S/C15H31NOS/c1-6-8-10-12-14(13-11-9-7-2)16-18(17)15(3,4)5/h6-13H2,1-5H3/t18-/m1/s1
InChIKeyDBJFPLTUBWOGEW-GOSISDBHSA-N
MW273.49 g/mol
LogP5.05
Rot. Bonds9

About (R)-2-methyl-N-undecan-6-ylidenepropane-2-sulfinamide

(R)-2-methyl-N-undecan-6-ylidenepropane-2-sulfinamide (PubChem CID 11242779) has the molecular formula C15H31NOS and a molecular weight of 273.49 g/mol. Its IUPAC name is (R)-2-methyl-N-undecan-6-ylidenepropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-undecan-6-ylidenepropane-2-sulfinamide
PubChem CID11242779
Molecular FormulaC15H31NOS
Molecular Weight273.49 g/mol
Exact Mass273.21
IUPAC Name(R)-2-methyl-N-undecan-6-ylidenepropane-2-sulfinamide
SMILESCCCCCC(CCCCC)=N[S@](=O)C(C)(C)C
InChIInChI=1S/C15H31NOS/c1-6-8-10-12-14(13-11-9-7-2)16-18(17)15(3,4)5/h6-13H2,1-5H3/t18-/m1/s1
InChIKeyDBJFPLTUBWOGEW-GOSISDBHSA-N
XLogP5.05
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.49
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (R)-2-methyl-N-undecan-6-ylidenepropane-2-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(NE,R)-N-decan-2-ylidene-2-methylpropane-2-sulfinamide
CID 16753574
(NE,S)-N-decylidene-2-methylpropane-2-sulfinamide
CID 57331784
(NE)-N-(1-chloropropan-2-ylidene)-2-methylpropane-2-sulfinamide
CID 177419638
N-nonan-4-ylidenehydroxylamine;hydrochloride
CID 86742675
N-methyloctan-3-imine
CID 550941
decan-5-ylidenehydrazine
CID 86114328
tetradecanamide
CID 175692014
CID 87899207
CID 87899207
nonacosanamide
CID 21105912
tetrapentacontanamide
CID 139682680
N-oxotetradecanamide
CID 87730431
N-oxooctanamide
CID 87234486

Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-undecan-6-ylidenepropane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-undecan-6-ylidenepropane-2-sulfinamide (CID 11242779) is (R)-2-methyl-N-undecan-6-ylidenepropane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-undecan-6-ylidenepropane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-undecan-6-ylidenepropane-2-sulfinamide is CCCCCC(CCCCC)=N[S@](=O)C(C)(C)C.
What is the InChIKey of (R)-2-methyl-N-undecan-6-ylidenepropane-2-sulfinamide?
The InChIKey is DBJFPLTUBWOGEW-GOSISDBHSA-N. The full InChI is InChI=1S/C15H31NOS/c1-6-8-10-12-14(13-11-9-7-2)16-18(17)15(3,4)5/h6-13H2,1-5H3/t18-/m1/s1.
What are the key properties of (R)-2-methyl-N-undecan-6-ylidenepropane-2-sulfinamide?
(R)-2-methyl-N-undecan-6-ylidenepropane-2-sulfinamide has a molecular weight of 273.49 g/mol, XLogP of 5.05, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-undecan-6-ylidenepropane-2-sulfinamide is sourced from PubChem (CID 11242779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).