hex-5-en-3-yl-dimethyl-(3-sulfanylpropyl)azanium

C11H24NS+ — CID 175470494

IUPAChex-5-en-3-yl-dimethyl-(3-sulfanylpropyl)azanium
SMILESC=CCC(CC)[N+](C)(C)CCCS
InChIInChI=1S/C11H23NS/c1-5-8-11(6-2)12(3,4)9-7-10-13/h5,11H,1,6-10H2,2-4H3/p+1
InChIKeyGNVZSLLJUWILTF-UHFFFAOYSA-O
MW202.39 g/mol
LogP2.74
Rot. Bonds7

About hex-5-en-3-yl-dimethyl-(3-sulfanylpropyl)azanium

hex-5-en-3-yl-dimethyl-(3-sulfanylpropyl)azanium (PubChem CID 175470494) has the molecular formula C11H24NS+ and a molecular weight of 202.39 g/mol. Its IUPAC name is hex-5-en-3-yl-dimethyl-(3-sulfanylpropyl)azanium.

Molecular Properties

Compound Namehex-5-en-3-yl-dimethyl-(3-sulfanylpropyl)azanium
PubChem CID175470494
Molecular FormulaC11H24NS+
Molecular Weight202.39 g/mol
Exact Mass202.16
IUPAC Namehex-5-en-3-yl-dimethyl-(3-sulfanylpropyl)azanium
SMILESC=CCC(CC)[N+](C)(C)CCCS
InChIInChI=1S/C11H23NS/c1-5-8-11(6-2)12(3,4)9-7-10-13/h5,11H,1,6-10H2,2-4H3/p+1
InChIKeyGNVZSLLJUWILTF-UHFFFAOYSA-O
XLogP2.74
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-methyl-5-methylsulfanylpent-1-en-3-amine
CID 88870045
5-methylsulfanyl-N,N-dipropylpent-1-en-3-amine
CID 88885670
N-ethyl-N-[ethyl(dimethyl)-lambda4-sulfanyl]pent-4-en-2-amine
CID 123327137
5-[Ethyl(methyl)amino]hexa-1,5-diene-3-thiol
CID 134293320
5-[Methyl(propan-2-yl)amino]hexa-1,5-diene-3-thiol
CID 138475630
2-[Methyl(propan-2-yl)amino]hexa-1,5-diene-3-thiol
CID 155401920
(Z)-5-[methyl(1-sulfanylethyl)amino]oct-2-ene-4-thiol
CID 164154284
3-[Bis(but-3-enyl)amino]propane-1-thiol
CID 164875589
Hex-5-en-3-yl-dimethyl-(3-sulfanylpropyl)azanium chloride
CID 175470493
4-[Propan-2-yl(propyl)amino]but-2-ene-1-thiol
CID 80024371
4-[Butan-2-yl(methyl)amino]but-2-ene-1-thiol
CID 80024496
4-[Methyl(pentan-3-yl)amino]but-2-ene-1-thiol
CID 80024531

Frequently Asked Questions

What is the IUPAC name of hex-5-en-3-yl-dimethyl-(3-sulfanylpropyl)azanium?
The IUPAC name of hex-5-en-3-yl-dimethyl-(3-sulfanylpropyl)azanium (CID 175470494) is hex-5-en-3-yl-dimethyl-(3-sulfanylpropyl)azanium.
What is the SMILES notation for hex-5-en-3-yl-dimethyl-(3-sulfanylpropyl)azanium?
The canonical SMILES for hex-5-en-3-yl-dimethyl-(3-sulfanylpropyl)azanium is C=CCC(CC)[N+](C)(C)CCCS.
What is the InChIKey of hex-5-en-3-yl-dimethyl-(3-sulfanylpropyl)azanium?
The InChIKey is GNVZSLLJUWILTF-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H23NS/c1-5-8-11(6-2)12(3,4)9-7-10-13/h5,11H,1,6-10H2,2-4H3/p+1.
What are the key properties of hex-5-en-3-yl-dimethyl-(3-sulfanylpropyl)azanium?
hex-5-en-3-yl-dimethyl-(3-sulfanylpropyl)azanium has a molecular weight of 202.39 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hex-5-en-3-yl-dimethyl-(3-sulfanylpropyl)azanium is sourced from PubChem (CID 175470494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).