N-(1,3-benzothiazol-2-ylsulfanyl)cyclohexen-1-amine

C13H14N2S2 — CID 175034496

IUPACN-(1,3-benzothiazol-2-ylsulfanyl)cyclohexen-1-amine
SMILESC1=C(NSc2nc3ccccc3s2)CCCC1
InChIInChI=1S/C13H14N2S2/c1-2-6-10(7-3-1)15-17-13-14-11-8-4-5-9-12(11)16-13/h4-6,8-9,15H,1-3,7H2
InChIKeyRWMCQACZKVYMFY-UHFFFAOYSA-N
MW262.40 g/mol
LogP4.35
Rot. Bonds3

About N-(1,3-benzothiazol-2-ylsulfanyl)cyclohexen-1-amine

N-(1,3-benzothiazol-2-ylsulfanyl)cyclohexen-1-amine (PubChem CID 175034496) has the molecular formula C13H14N2S2 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylsulfanyl)cyclohexen-1-amine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylsulfanyl)cyclohexen-1-amine
PubChem CID175034496
Molecular FormulaC13H14N2S2
Molecular Weight262.40 g/mol
Exact Mass262.06
IUPAC NameN-(1,3-benzothiazol-2-ylsulfanyl)cyclohexen-1-amine
SMILESC1=C(NSc2nc3ccccc3s2)CCCC1
InChIInChI=1S/C13H14N2S2/c1-2-6-10(7-3-1)15-17-13-14-11-8-4-5-9-12(11)16-13/h4-6,8-9,15H,1-3,7H2
InChIKeyRWMCQACZKVYMFY-UHFFFAOYSA-N
XLogP4.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N'-(cyclohexen-1-yl)benzohydrazide
CID 2353656
N-(1,3-benzothiazol-2-ylsulfanyl)furan-2-amine
CID 5026590
N-(1,3-benzothiazol-2-ylsulfanyl)cyclohexanamine;sulfane
CID 88655947
N-(1,3-benzothiazol-2-ylsulfanyl)acetamide
CID 45077506
N-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropan-2-amine;2-methylpropan-2-amine
CID 88838043
ethane;2-methylsulfanyl-1,3-benzothiazole
CID 143023766
N-(1,3-benzothiazol-2-ylsulfanyl)butan-2-amine
CID 21196958
N-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclohexylthiohydroxylamine
CID 158162347
[1-(1,3-benzothiazol-2-yl)-3-(cyclohexen-1-yl)propan-2-yl]hydrazine
CID 105270009
1,3-benzothiazol-2-ylsulfanylmethanethiol
CID 18616061
N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
CID 12741817
N-(1,3-benzothiazol-2-yldisulfanyl)-1-methylcyclohexan-1-amine
CID 21441506

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylsulfanyl)cyclohexen-1-amine?
The IUPAC name of N-(1,3-benzothiazol-2-ylsulfanyl)cyclohexen-1-amine (CID 175034496) is N-(1,3-benzothiazol-2-ylsulfanyl)cyclohexen-1-amine.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylsulfanyl)cyclohexen-1-amine?
The canonical SMILES for N-(1,3-benzothiazol-2-ylsulfanyl)cyclohexen-1-amine is C1=C(NSc2nc3ccccc3s2)CCCC1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylsulfanyl)cyclohexen-1-amine?
The InChIKey is RWMCQACZKVYMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S2/c1-2-6-10(7-3-1)15-17-13-14-11-8-4-5-9-12(11)16-13/h4-6,8-9,15H,1-3,7H2.
What are the key properties of N-(1,3-benzothiazol-2-ylsulfanyl)cyclohexen-1-amine?
N-(1,3-benzothiazol-2-ylsulfanyl)cyclohexen-1-amine has a molecular weight of 262.40 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylsulfanyl)cyclohexen-1-amine is sourced from PubChem (CID 175034496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).