N-cyclohex-3-en-1-yl-5-methylthiolan-3-amine

C11H19NS — CID 79949502

IUPACN-cyclohex-3-en-1-yl-5-methylthiolan-3-amine
SMILESCC1CC(NC2CC=CCC2)CS1
InChIInChI=1S/C11H19NS/c1-9-7-11(8-13-9)12-10-5-3-2-4-6-10/h2-3,9-12H,4-8H2,1H3
InChIKeyLRGURVNBTPXCIY-UHFFFAOYSA-N
MW197.35 g/mol
LogP2.58
Rot. Bonds2

About N-cyclohex-3-en-1-yl-5-methylthiolan-3-amine

N-cyclohex-3-en-1-yl-5-methylthiolan-3-amine (PubChem CID 79949502) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is N-cyclohex-3-en-1-yl-5-methylthiolan-3-amine.

Molecular Properties

Compound NameN-cyclohex-3-en-1-yl-5-methylthiolan-3-amine
PubChem CID79949502
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC NameN-cyclohex-3-en-1-yl-5-methylthiolan-3-amine
SMILESCC1CC(NC2CC=CCC2)CS1
InChIInChI=1S/C11H19NS/c1-9-7-11(8-13-9)12-10-5-3-2-4-6-10/h2-3,9-12H,4-8H2,1H3
InChIKeyLRGURVNBTPXCIY-UHFFFAOYSA-N
XLogP2.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 52.58
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-(4-methylpent-3-en-1-yl)-1,3-thiazolidine
CID 3040236
2-Methyl-2-(pent-4-en-1-yl)-1,3-thiazolidine
CID 3058785
Thiazolidine, 2-(3-pentenyl)-, (E)-
CID 6447464
Thiazolidine, 2-(3-heptenyl)-2-methyl-, (E)-
CID 6447468
Thiazolidine, 2-(3,6-heptadienyl)-2-methyl-, (E)-
CID 6447469
Thiazolidine, 2-methyl-2-(3-pentenyl)-, (E)-
CID 6447466
Thiazolidine, 2-(3,5-hexadienyl)-2-methyl-, (E)-
CID 6447467
Thiazolidine, 2-(hept-3-en-6-ynyl)-2-methyl-, (E)-
CID 6447470
2-[(E)-2-(2-pyridyl)ethenyl]thiophene
CID 175646577
2-((Z)-2-heptenyl)thiazolidine
CID 5352327
2-((Z)-2-hexenyl)thiazolidine
CID 5352328
2-((Z)-2-octenyl)thiazolidine
CID 5352329

Frequently Asked Questions

What is the IUPAC name of N-cyclohex-3-en-1-yl-5-methylthiolan-3-amine?
The IUPAC name of N-cyclohex-3-en-1-yl-5-methylthiolan-3-amine (CID 79949502) is N-cyclohex-3-en-1-yl-5-methylthiolan-3-amine.
What is the SMILES notation for N-cyclohex-3-en-1-yl-5-methylthiolan-3-amine?
The canonical SMILES for N-cyclohex-3-en-1-yl-5-methylthiolan-3-amine is CC1CC(NC2CC=CCC2)CS1.
What is the InChIKey of N-cyclohex-3-en-1-yl-5-methylthiolan-3-amine?
The InChIKey is LRGURVNBTPXCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-9-7-11(8-13-9)12-10-5-3-2-4-6-10/h2-3,9-12H,4-8H2,1H3.
What are the key properties of N-cyclohex-3-en-1-yl-5-methylthiolan-3-amine?
N-cyclohex-3-en-1-yl-5-methylthiolan-3-amine has a molecular weight of 197.35 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-3-en-1-yl-5-methylthiolan-3-amine is sourced from PubChem (CID 79949502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).