(S)-N-[(3R)-hexa-1,5-dien-3-yl]-2-methylpropane-2-sulfinamide

C10H19NOS — CID 46946712

IUPAC(S)-N-[(3R)-hexa-1,5-dien-3-yl]-2-methylpropane-2-sulfinamide
SMILESC=CC[C@H](C=C)N[S@@](=O)C(C)(C)C
InChIInChI=1S/C10H19NOS/c1-6-8-9(7-2)11-13(12)10(3,4)5/h6-7,9,11H,1-2,8H2,3-5H3/t9-,13-/m0/s1
InChIKeyFMDNEHFHKAKQGA-ZANVPECISA-N
MW201.33 g/mol
LogP2.17
Rot. Bonds5

About (S)-N-[(3R)-hexa-1,5-dien-3-yl]-2-methylpropane-2-sulfinamide

(S)-N-[(3R)-hexa-1,5-dien-3-yl]-2-methylpropane-2-sulfinamide (PubChem CID 46946712) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is (S)-N-[(3R)-hexa-1,5-dien-3-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[(3R)-hexa-1,5-dien-3-yl]-2-methylpropane-2-sulfinamide
PubChem CID46946712
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name(S)-N-[(3R)-hexa-1,5-dien-3-yl]-2-methylpropane-2-sulfinamide
SMILESC=CC[C@H](C=C)N[S@@](=O)C(C)(C)C
InChIInChI=1S/C10H19NOS/c1-6-8-9(7-2)11-13(12)10(3,4)5/h6-7,9,11H,1-2,8H2,3-5H3/t9-,13-/m0/s1
InChIKeyFMDNEHFHKAKQGA-ZANVPECISA-N
XLogP2.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(S)-2-methyl-N-[(2S)-1,1,1-trifluoropent-4-en-2-yl]propane-2-sulfinamide
CID 134857549
2-methyl-N-[(4R)-6-methylhept-1-en-4-yl]propane-2-sulfinamide
CID 132574202
(S)-2-methyl-N-[(2S)-1,1,1-trifluorobut-3-en-2-yl]propane-2-sulfinamide
CID 11615546
2-methyl-N-[(2S)-1,1,1-trifluoropent-4-en-2-yl]propane-2-sulfinamide
CID 101399060
(R)-2-methyl-N-[(2R)-1,1,1-trifluorobut-3-en-2-yl]propane-2-sulfinamide
CID 140156780
N-(1,1-difluorobut-3-en-2-yl)-2-methylpropane-2-sulfinamide
CID 140762676
(R)-2-methyl-N-[(2R)-1,1,1-trifluoropent-4-en-2-yl]propane-2-sulfinamide
CID 163278136
(S)-2-methyl-N-[(3R)-1,1,1-trifluorohex-5-en-3-yl]propane-2-sulfinamide
CID 163278402
(S)-2-methyl-N-[(2R)-1,1,1-trifluoropent-4-en-2-yl]propane-2-sulfinamide
CID 163278607
(S)-2-methyl-N-[(3S)-6,6,6-trifluorohex-1-en-3-yl]propane-2-sulfinamide
CID 163278856
N-(3,3-difluoropent-4-en-2-yl)-2-methylpropane-2-sulfinamide
CID 163278911
(R)-2-methyl-N-(6,6,6-trifluorohex-1-en-3-yl)propane-2-sulfinamide
CID 163279084

Frequently Asked Questions

What is the IUPAC name of (S)-N-[(3R)-hexa-1,5-dien-3-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[(3R)-hexa-1,5-dien-3-yl]-2-methylpropane-2-sulfinamide (CID 46946712) is (S)-N-[(3R)-hexa-1,5-dien-3-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[(3R)-hexa-1,5-dien-3-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[(3R)-hexa-1,5-dien-3-yl]-2-methylpropane-2-sulfinamide is C=CC[C@H](C=C)N[S@@](=O)C(C)(C)C.
What is the InChIKey of (S)-N-[(3R)-hexa-1,5-dien-3-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is FMDNEHFHKAKQGA-ZANVPECISA-N. The full InChI is InChI=1S/C10H19NOS/c1-6-8-9(7-2)11-13(12)10(3,4)5/h6-7,9,11H,1-2,8H2,3-5H3/t9-,13-/m0/s1.
What are the key properties of (S)-N-[(3R)-hexa-1,5-dien-3-yl]-2-methylpropane-2-sulfinamide?
(S)-N-[(3R)-hexa-1,5-dien-3-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 201.33 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[(3R)-hexa-1,5-dien-3-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 46946712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).