1-ethylsulfanyl-N-propylhex-5-en-2-amine

C11H23NS — CID 65127489

IUPAC1-ethylsulfanyl-N-propylhex-5-en-2-amine
SMILESC=CCCC(CSCC)NCCC
InChIInChI=1S/C11H23NS/c1-4-7-8-11(10-13-6-3)12-9-5-2/h4,11-12H,1,5-10H2,2-3H3
InChIKeyMEOGCLYNJJTKKY-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.07
Rot. Bonds9

About 1-ethylsulfanyl-N-propylhex-5-en-2-amine

1-ethylsulfanyl-N-propylhex-5-en-2-amine (PubChem CID 65127489) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 1-ethylsulfanyl-N-propylhex-5-en-2-amine.

Molecular Properties

Compound Name1-ethylsulfanyl-N-propylhex-5-en-2-amine
PubChem CID65127489
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name1-ethylsulfanyl-N-propylhex-5-en-2-amine
SMILESC=CCCC(CSCC)NCCC
InChIInChI=1S/C11H23NS/c1-4-7-8-11(10-13-6-3)12-9-5-2/h4,11-12H,1,5-10H2,2-3H3
InChIKeyMEOGCLYNJJTKKY-UHFFFAOYSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-2-(pent-4-en-1-yl)-1,3-thiazolidine
CID 3058785
Thiazolidine, 2-(3-heptenyl)-2-methyl-, (E)-
CID 6447468
Thiazolidine, 2-(3,6-heptadienyl)-2-methyl-, (E)-
CID 6447469
2-(But-3-en-1-yl)-2-methyl-1,3-thiazolidine
CID 3058778
2-(Hex-5-en-1-yl)-2-methyl-1,3-thiazolidine
CID 3058791
Thiazolidine, 2-methyl-2-(3-pentenyl)-, (E)-
CID 6447466
N-[2-(trifluoromethylsulfanyl)ethyl]hex-5-en-2-amine
CID 104581858
N-ethyl-2-propyl-2,3-dihydrothiophen-3-amine
CID 54101904
N,2-dipropyl-2,3-dihydrothiophen-3-amine
CID 54478450
N-ethyl-5-prop-2-enylthiolan-3-amine
CID 57017771
N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-2-amine
CID 57284310
N-(3-methylsulfanylpropyl)but-3-en-1-amine
CID 57591259

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-N-propylhex-5-en-2-amine?
The IUPAC name of 1-ethylsulfanyl-N-propylhex-5-en-2-amine (CID 65127489) is 1-ethylsulfanyl-N-propylhex-5-en-2-amine.
What is the SMILES notation for 1-ethylsulfanyl-N-propylhex-5-en-2-amine?
The canonical SMILES for 1-ethylsulfanyl-N-propylhex-5-en-2-amine is C=CCCC(CSCC)NCCC.
What is the InChIKey of 1-ethylsulfanyl-N-propylhex-5-en-2-amine?
The InChIKey is MEOGCLYNJJTKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-4-7-8-11(10-13-6-3)12-9-5-2/h4,11-12H,1,5-10H2,2-3H3.
What are the key properties of 1-ethylsulfanyl-N-propylhex-5-en-2-amine?
1-ethylsulfanyl-N-propylhex-5-en-2-amine has a molecular weight of 201.38 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-N-propylhex-5-en-2-amine is sourced from PubChem (CID 65127489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).