(R)-2-methyl-N-[(E,4S)-non-5-en-4-yl]propane-2-sulfinamide

C13H27NOS — CID 134964096

IUPAC(R)-2-methyl-N-[(E,4S)-non-5-en-4-yl]propane-2-sulfinamide
SMILESCCC/C=C/[C@H](CCC)N[S@](=O)C(C)(C)C
InChIInChI=1S/C13H27NOS/c1-6-8-9-11-12(10-7-2)14-16(15)13(3,4)5/h9,11-12,14H,6-8,10H2,1-5H3/b11-9+/t12-,16+/m0/s1
InChIKeyBRWFSRGHZLRUKL-SBJBNJPBSA-N
MW245.43 g/mol
LogP3.56
Rot. Bonds7

About (R)-2-methyl-N-[(E,4S)-non-5-en-4-yl]propane-2-sulfinamide

(R)-2-methyl-N-[(E,4S)-non-5-en-4-yl]propane-2-sulfinamide (PubChem CID 134964096) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is (R)-2-methyl-N-[(E,4S)-non-5-en-4-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(E,4S)-non-5-en-4-yl]propane-2-sulfinamide
PubChem CID134964096
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC Name(R)-2-methyl-N-[(E,4S)-non-5-en-4-yl]propane-2-sulfinamide
SMILESCCC/C=C/[C@H](CCC)N[S@](=O)C(C)(C)C
InChIInChI=1S/C13H27NOS/c1-6-8-9-11-12(10-7-2)14-16(15)13(3,4)5/h9,11-12,14H,6-8,10H2,1-5H3/b11-9+/t12-,16+/m0/s1
InChIKeyBRWFSRGHZLRUKL-SBJBNJPBSA-N
XLogP3.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (R)-2-methyl-N-[(E,4S)-non-5-en-4-yl]propane-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

(S)-2-methyl-N-[(3S)-6,6,6-trifluorohex-1-en-3-yl]propane-2-sulfinamide
CID 163278856
(R)-2-methyl-N-(6,6,6-trifluorohex-1-en-3-yl)propane-2-sulfinamide
CID 163279084
2-methyl-N-[(3S)-6,6,6-trifluorohex-1-en-3-yl]propane-2-sulfinamide
CID 167047216
Tert-butyl-oxido-(1,4,6-trifluorohex-1-en-3-ylamino)sulfanium
CID 175485360
Tert-butyl-oxido-(1,1,7-trifluorohept-5-en-3-ylamino)sulfanium
CID 175485443
(S)-N-[(4R,5E)-hepta-1,5-dien-4-yl]-2-methylpropane-2-sulfinamide
CID 46946711
(S)-N-[(3R)-hexa-1,5-dien-3-yl]-2-methylpropane-2-sulfinamide
CID 46946712
(R)-2-methyl-N-[(E,3S)-oct-4-en-3-yl]propane-2-sulfinamide
CID 131866049
(R)-N-[(Z,2R)-hept-5-en-2-yl]-2-methylpropane-2-sulfinamide
CID 134945406
(R)-N-[(E,2S)-hept-5-en-2-yl]-2-methylpropane-2-sulfinamide
CID 134945442
(R)-N-[(Z,2S)-hept-5-en-2-yl]-2-methylpropane-2-sulfinamide
CID 134945451
(S)-N-[(1S,6S)-6-[[(S)-tert-butylsulfinyl]amino]cyclohex-3-en-1-yl]-2-methylpropane-2-sulfinamide
CID 134967893

Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(E,4S)-non-5-en-4-yl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(E,4S)-non-5-en-4-yl]propane-2-sulfinamide (CID 134964096) is (R)-2-methyl-N-[(E,4S)-non-5-en-4-yl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(E,4S)-non-5-en-4-yl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(E,4S)-non-5-en-4-yl]propane-2-sulfinamide is CCC/C=C/[C@H](CCC)N[S@](=O)C(C)(C)C.
What is the InChIKey of (R)-2-methyl-N-[(E,4S)-non-5-en-4-yl]propane-2-sulfinamide?
The InChIKey is BRWFSRGHZLRUKL-SBJBNJPBSA-N. The full InChI is InChI=1S/C13H27NOS/c1-6-8-9-11-12(10-7-2)14-16(15)13(3,4)5/h9,11-12,14H,6-8,10H2,1-5H3/b11-9+/t12-,16+/m0/s1.
What are the key properties of (R)-2-methyl-N-[(E,4S)-non-5-en-4-yl]propane-2-sulfinamide?
(R)-2-methyl-N-[(E,4S)-non-5-en-4-yl]propane-2-sulfinamide has a molecular weight of 245.43 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(E,4S)-non-5-en-4-yl]propane-2-sulfinamide is sourced from PubChem (CID 134964096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).