N-cyclohexyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-amine

C13H22N2S — CID 135021332

IUPACN-cyclohexyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-amine
SMILESC1CCC(NC2=NC3CCCCC3S2)CC1
InChIInChI=1S/C13H22N2S/c1-2-6-10(7-3-1)14-13-15-11-8-4-5-9-12(11)16-13/h10-12H,1-9H2,(H,14,15)
InChIKeyHEGJHXRWZMUCNN-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.32
Rot. Bonds1

About N-cyclohexyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-amine

N-cyclohexyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-amine (PubChem CID 135021332) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-cyclohexyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-amine
PubChem CID135021332
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-cyclohexyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-amine
SMILESC1CCC(NC2=NC3CCCCC3S2)CC1
InChIInChI=1S/C13H22N2S/c1-2-6-10(7-3-1)14-13-15-11-8-4-5-9-12(11)16-13/h10-12H,1-9H2,(H,14,15)
InChIKeyHEGJHXRWZMUCNN-UHFFFAOYSA-N
XLogP3.32
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6S)-6-N-propyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazole-2,6-diamine
CID 15388745
N-cyclohexyl-4,5-dihydro-1,3-thiazol-2-amine
CID 568661
N-Cyclohexyl-4,5-dihydro-5-methyl-2-thiazolamine
CID 2802274
Cyclohexyl-(5,6-dihydro-4H-[1,3]thiazin-2-yl)-amine
CID 2363379
Pseudourea, 1,3-dicyclohexyl-2-ethyl-2-thio-, hydrobromide
CID 203320
ethyl N,N'-dicyclohexylcarbamimidothioate
CID 203321
methyl N,N'-dicyclohexylcarbamimidothioate
CID 203319
Pramipexole Impurity 2
CID 9794366
2-ethylsulfanyl-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole
CID 20261909
2-propylsulfanyl-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole
CID 53721260
3a,4,5,6,7,7a-Hexahydro 2-(Propylthio) 1H-Benzimidazole Monohydrobromide
CID 70149959
2-pentan-3-ylsulfanyl-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole
CID 89931481

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-amine?
The IUPAC name of N-cyclohexyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-amine (CID 135021332) is N-cyclohexyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-cyclohexyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-amine?
The canonical SMILES for N-cyclohexyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-amine is C1CCC(NC2=NC3CCCCC3S2)CC1.
What is the InChIKey of N-cyclohexyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-amine?
The InChIKey is HEGJHXRWZMUCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-2-6-10(7-3-1)14-13-15-11-8-4-5-9-12(11)16-13/h10-12H,1-9H2,(H,14,15).
What are the key properties of N-cyclohexyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-amine?
N-cyclohexyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-amine has a molecular weight of 238.40 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 135021332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).