(E,1S,2S,3S)-N,2,3-trimethyl-1-methylsulfanylhex-4-en-1-amine

C10H21NS — CID 163582264

IUPAC(E,1S,2S,3S)-N,2,3-trimethyl-1-methylsulfanylhex-4-en-1-amine
SMILESC/C=C/[C@H](C)[C@H](C)[C@@H](NC)SC
InChIInChI=1S/C10H21NS/c1-6-7-8(2)9(3)10(11-4)12-5/h6-11H,1-5H3/b7-6+/t8-,9-,10-/m0/s1
InChIKeyGINVFRBNWPDEKK-WQPYABEOSA-N
MW187.35 g/mol
LogP2.74
Rot. Bonds5

About (E,1S,2S,3S)-N,2,3-trimethyl-1-methylsulfanylhex-4-en-1-amine

(E,1S,2S,3S)-N,2,3-trimethyl-1-methylsulfanylhex-4-en-1-amine (PubChem CID 163582264) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is (E,1S,2S,3S)-N,2,3-trimethyl-1-methylsulfanylhex-4-en-1-amine.

Molecular Properties

Compound Name(E,1S,2S,3S)-N,2,3-trimethyl-1-methylsulfanylhex-4-en-1-amine
PubChem CID163582264
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name(E,1S,2S,3S)-N,2,3-trimethyl-1-methylsulfanylhex-4-en-1-amine
SMILESC/C=C/[C@H](C)[C@H](C)[C@@H](NC)SC
InChIInChI=1S/C10H21NS/c1-6-7-8(2)9(3)10(11-4)12-5/h6-11H,1-5H3/b7-6+/t8-,9-,10-/m0/s1
InChIKeyGINVFRBNWPDEKK-WQPYABEOSA-N
XLogP2.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (E,1S,2S,3S)-N,2,3-trimethyl-1-methylsulfanylhex-4-en-1-amine with MolForge

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Launch Full Analysis

Related Compounds

2-fluoro-N,3,5-trimethyl-7,8-bis(methylsulfanyl)oct-4-en-1-amine
CID 123337384
2-methyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-1-amine
CID 57186297
3-(2,3-Dihydrothiophen-3-yl)-5-methyl-1,2,3,6-tetrahydropyridine
CID 118549058
6-Ethyl-6-methyl-7-methylsulfanyl-1,2,3,7-tetrahydroazepine
CID 123460923
3-ethenylsulfanyl-2-ethyl-N-methylbut-3-en-1-amine
CID 123829902
(Z)-3-ethenylsulfanyl-2-propan-2-ylpent-3-en-1-amine
CID 132123223
3-[(E)-3-methylsulfanylbut-1-enyl]pyrrolidine
CID 140243893
(Z)-N-methyl-1-(trimethyl-lambda4-sulfanyl)pent-3-en-1-amine
CID 166764361
(Z)-N-ethyl-2-(methylsulfanylmethyl)hex-4-en-1-amine
CID 167045695
N-(2-methyl-3-methylsulfanylpropyl)pent-4-en-1-amine
CID 64315150
(E)-N-(4-methylsulfanylbutyl)pent-3-en-1-amine
CID 103088387
(E)-N-(thiolan-3-ylmethyl)pent-3-en-1-amine
CID 107132415

Frequently Asked Questions

What is the IUPAC name of (E,1S,2S,3S)-N,2,3-trimethyl-1-methylsulfanylhex-4-en-1-amine?
The IUPAC name of (E,1S,2S,3S)-N,2,3-trimethyl-1-methylsulfanylhex-4-en-1-amine (CID 163582264) is (E,1S,2S,3S)-N,2,3-trimethyl-1-methylsulfanylhex-4-en-1-amine.
What is the SMILES notation for (E,1S,2S,3S)-N,2,3-trimethyl-1-methylsulfanylhex-4-en-1-amine?
The canonical SMILES for (E,1S,2S,3S)-N,2,3-trimethyl-1-methylsulfanylhex-4-en-1-amine is C/C=C/[C@H](C)[C@H](C)[C@@H](NC)SC.
What is the InChIKey of (E,1S,2S,3S)-N,2,3-trimethyl-1-methylsulfanylhex-4-en-1-amine?
The InChIKey is GINVFRBNWPDEKK-WQPYABEOSA-N. The full InChI is InChI=1S/C10H21NS/c1-6-7-8(2)9(3)10(11-4)12-5/h6-11H,1-5H3/b7-6+/t8-,9-,10-/m0/s1.
What are the key properties of (E,1S,2S,3S)-N,2,3-trimethyl-1-methylsulfanylhex-4-en-1-amine?
(E,1S,2S,3S)-N,2,3-trimethyl-1-methylsulfanylhex-4-en-1-amine has a molecular weight of 187.35 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1S,2S,3S)-N,2,3-trimethyl-1-methylsulfanylhex-4-en-1-amine is sourced from PubChem (CID 163582264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).