N-(3-ethylhex-5-en-3-yl)-2-methylpropane-2-sulfinamide;molecular hydrogen

C12H27NOS — CID 164871229

IUPACN-(3-ethylhex-5-en-3-yl)-2-methylpropane-2-sulfinamide;molecular hydrogen
SMILESC=CCC(CC)(CC)NS(=O)C(C)(C)C.[H][H]
InChIInChI=1S/C12H25NOS.H2/c1-7-10-12(8-2,9-3)13-15(14)11(4,5)6;/h7,13H,1,8-10H2,2-6H3;1H
InChIKeyFGMGLOUMGPFTFE-UHFFFAOYSA-N
MW233.42 g/mol
LogP3.42
Rot. Bonds6

About N-(3-ethylhex-5-en-3-yl)-2-methylpropane-2-sulfinamide;molecular hydrogen

N-(3-ethylhex-5-en-3-yl)-2-methylpropane-2-sulfinamide;molecular hydrogen (PubChem CID 164871229) has the molecular formula C12H27NOS and a molecular weight of 233.42 g/mol. Its IUPAC name is N-(3-ethylhex-5-en-3-yl)-2-methylpropane-2-sulfinamide;molecular hydrogen.

Molecular Properties

Compound NameN-(3-ethylhex-5-en-3-yl)-2-methylpropane-2-sulfinamide;molecular hydrogen
PubChem CID164871229
Molecular FormulaC12H27NOS
Molecular Weight233.42 g/mol
Exact Mass233.18
IUPAC NameN-(3-ethylhex-5-en-3-yl)-2-methylpropane-2-sulfinamide;molecular hydrogen
SMILESC=CCC(CC)(CC)NS(=O)C(C)(C)C.[H][H]
InChIInChI=1S/C12H25NOS.H2/c1-7-10-12(8-2,9-3)13-15(14)11(4,5)6;/h7,13H,1,8-10H2,2-6H3;1H
InChIKeyFGMGLOUMGPFTFE-UHFFFAOYSA-N
XLogP3.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.42
LogP ≤ 53.42
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-[(2R)-1,1,1-trifluoro-2-methylpent-4-en-2-yl]propane-2-sulfinamide
CID 72711017
1-Allyl-N-tert-butylcyclopropane-1-sulfonamide
CID 21889795
(S)-2-methyl-N-[(3R)-3-methylhex-5-en-3-yl]propane-2-sulfinamide
CID 125475744
(S)-N-[(3S)-2,3-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide
CID 134925990
(S)-N-[(4R)-4,6-dimethylhept-1-en-4-yl]-2-methylpropane-2-sulfinamide
CID 134965670
(R)-N-[(3S)-2,3-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide
CID 135000202
N-tert-butyl-1-prop-2-enylcyclopropane-1-sulfinamide
CID 117930567
N-(3-ethylhex-5-en-3-yl)methanesulfonamide
CID 134204123
N-tert-butyl-1-prop-2-enylcyclopropane-1-sulfonamide;molecular hydrogen
CID 143671557
(R)-2-methyl-N-[(4R)-4-methyloct-1-en-4-yl]propane-2-sulfinamide
CID 146474161
2-methyl-N-(2-methylpent-4-en-2-yl)propane-2-sulfinamide
CID 164871272
2-methyl-N-(1-prop-2-enylcyclobutyl)propane-2-sulfinamide
CID 164871827

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylhex-5-en-3-yl)-2-methylpropane-2-sulfinamide;molecular hydrogen?
The IUPAC name of N-(3-ethylhex-5-en-3-yl)-2-methylpropane-2-sulfinamide;molecular hydrogen (CID 164871229) is N-(3-ethylhex-5-en-3-yl)-2-methylpropane-2-sulfinamide;molecular hydrogen.
What is the SMILES notation for N-(3-ethylhex-5-en-3-yl)-2-methylpropane-2-sulfinamide;molecular hydrogen?
The canonical SMILES for N-(3-ethylhex-5-en-3-yl)-2-methylpropane-2-sulfinamide;molecular hydrogen is C=CCC(CC)(CC)NS(=O)C(C)(C)C.[H][H].
What is the InChIKey of N-(3-ethylhex-5-en-3-yl)-2-methylpropane-2-sulfinamide;molecular hydrogen?
The InChIKey is FGMGLOUMGPFTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS.H2/c1-7-10-12(8-2,9-3)13-15(14)11(4,5)6;/h7,13H,1,8-10H2,2-6H3;1H.
What are the key properties of N-(3-ethylhex-5-en-3-yl)-2-methylpropane-2-sulfinamide;molecular hydrogen?
N-(3-ethylhex-5-en-3-yl)-2-methylpropane-2-sulfinamide;molecular hydrogen has a molecular weight of 233.42 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylhex-5-en-3-yl)-2-methylpropane-2-sulfinamide;molecular hydrogen is sourced from PubChem (CID 164871229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).