N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfanylaniline

C14H19NS — CID 43683283

IUPACN-(cyclohex-3-en-1-ylmethyl)-2-methylsulfanylaniline
SMILESCSc1ccccc1NCC1CC=CCC1
InChIInChI=1S/C14H19NS/c1-16-14-10-6-5-9-13(14)15-11-12-7-3-2-4-8-12/h2-3,5-6,9-10,12,15H,4,7-8,11H2,1H3
InChIKeyZLCUWKGXRVNZKS-UHFFFAOYSA-N
MW233.38 g/mol
LogP4.18
Rot. Bonds4

About N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfanylaniline

N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfanylaniline (PubChem CID 43683283) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfanylaniline.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-2-methylsulfanylaniline
PubChem CID43683283
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-2-methylsulfanylaniline
SMILESCSc1ccccc1NCC1CC=CCC1
InChIInChI=1S/C14H19NS/c1-16-14-10-6-5-9-13(14)15-11-12-7-3-2-4-8-12/h2-3,5-6,9-10,12,15H,4,7-8,11H2,1H3
InChIKeyZLCUWKGXRVNZKS-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 54.18
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

N-(cyclohex-3-en-1-ylmethyl)-2-(methoxymethyl)aniline
CID 43677789
N-(cyclohex-3-en-1-ylmethyl)-2-(difluoromethoxy)aniline
CID 43094225
2-[2-(cyclohex-3-en-1-ylmethylamino)phenyl]-N-methylacetamide
CID 43692145
2-methylsulfanyl-N-(piperidin-3-ylmethyl)aniline
CID 80553558
N-(cyclohex-3-en-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43102283
(1S)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-phenylethanamine
CID 40641093
[1-[2-(cyclohex-3-en-1-ylmethylamino)phenyl]piperidin-4-yl]methanol
CID 110011353
1-(cyclohex-3-en-1-ylmethylamino)-2-phenylpropan-2-ol
CID 62373536
N-(cyclohex-3-en-1-ylmethyl)-2-imidazol-1-ylaniline
CID 43673439
2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 106637178
2,6-dibromo-N-(cyclohex-3-en-1-ylmethyl)aniline
CID 107597677
N-(cyclohex-3-en-1-ylmethyl)-1-(2-fluorophenyl)propan-2-amine
CID 113226908

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfanylaniline?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfanylaniline (CID 43683283) is N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfanylaniline.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfanylaniline?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfanylaniline is CSc1ccccc1NCC1CC=CCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfanylaniline?
The InChIKey is ZLCUWKGXRVNZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-16-14-10-6-5-9-13(14)15-11-12-7-3-2-4-8-12/h2-3,5-6,9-10,12,15H,4,7-8,11H2,1H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfanylaniline?
N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfanylaniline has a molecular weight of 233.38 g/mol, XLogP of 4.18, 4 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-ylmethyl)-2-methylsulfanylaniline is sourced from PubChem (CID 43683283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).