N-thieno[3,4-b]pyridin-5-ylsulfanylcyclohexanamine

C13H16N2S2 — CID 121284343

IUPACN-thieno[3,4-b]pyridin-5-ylsulfanylcyclohexanamine
SMILESc1cnc2csc(SNC3CCCCC3)c2c1
InChIInChI=1S/C13H16N2S2/c1-2-5-10(6-3-1)15-17-13-11-7-4-8-14-12(11)9-16-13/h4,7-10,15H,1-3,5-6H2
InChIKeyXEBMVODRVGFLBJ-UHFFFAOYSA-N
MW264.42 g/mol
LogP4.23
Rot. Bonds3

About N-thieno[3,4-b]pyridin-5-ylsulfanylcyclohexanamine

N-thieno[3,4-b]pyridin-5-ylsulfanylcyclohexanamine (PubChem CID 121284343) has the molecular formula C13H16N2S2 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-thieno[3,4-b]pyridin-5-ylsulfanylcyclohexanamine.

Molecular Properties

Compound NameN-thieno[3,4-b]pyridin-5-ylsulfanylcyclohexanamine
PubChem CID121284343
Molecular FormulaC13H16N2S2
Molecular Weight264.42 g/mol
Exact Mass264.08
IUPAC NameN-thieno[3,4-b]pyridin-5-ylsulfanylcyclohexanamine
SMILESc1cnc2csc(SNC3CCCCC3)c2c1
InChIInChI=1S/C13H16N2S2/c1-2-5-10(6-3-1)15-17-13-11-7-4-8-14-12(11)9-16-13/h4,7-10,15H,1-3,5-6H2
InChIKeyXEBMVODRVGFLBJ-UHFFFAOYSA-N
XLogP4.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 54.23
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

N-(1,3-benzothiazol-2-ylsulfanyl)cyclohexanamine;sulfane
CID 88655947
N-cyclododecylpyrido[2,3-d]pyrimidin-4-amine
CID 110432349
N-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexanamine
CID 87276544
[4-(cyclopentylamino)sulfanylnaphthalen-1-yl]methylideneazanium
CID 163536937
N-cyclohexyl-4-thiophen-2-ylphthalazin-1-amine
CID 704890
1-cyclohexyl-3-quinolin-5-ylthiourea
CID 115570849
3-N-cyclohexylpyridine-2,3-diamine
CID 59587824
1-cyclohexyl-2-quinolin-5-ylethane-1,2-diol
CID 103459285
6-N-cyclopropylquinoline-5,6-diamine
CID 43809527
N-(quinolin-4-ylmethyl)cyclohexanamine
CID 62337129
N-(4-methanimidoylnaphthalen-1-yl)sulfanylcyclopentanamine
CID 142003423
6-chloro-N-cyclohexyl-8-methylquinolin-5-amine
CID 43674648

Frequently Asked Questions

What is the IUPAC name of N-thieno[3,4-b]pyridin-5-ylsulfanylcyclohexanamine?
The IUPAC name of N-thieno[3,4-b]pyridin-5-ylsulfanylcyclohexanamine (CID 121284343) is N-thieno[3,4-b]pyridin-5-ylsulfanylcyclohexanamine.
What is the SMILES notation for N-thieno[3,4-b]pyridin-5-ylsulfanylcyclohexanamine?
The canonical SMILES for N-thieno[3,4-b]pyridin-5-ylsulfanylcyclohexanamine is c1cnc2csc(SNC3CCCCC3)c2c1.
What is the InChIKey of N-thieno[3,4-b]pyridin-5-ylsulfanylcyclohexanamine?
The InChIKey is XEBMVODRVGFLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S2/c1-2-5-10(6-3-1)15-17-13-11-7-4-8-14-12(11)9-16-13/h4,7-10,15H,1-3,5-6H2.
What are the key properties of N-thieno[3,4-b]pyridin-5-ylsulfanylcyclohexanamine?
N-thieno[3,4-b]pyridin-5-ylsulfanylcyclohexanamine has a molecular weight of 264.42 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-thieno[3,4-b]pyridin-5-ylsulfanylcyclohexanamine is sourced from PubChem (CID 121284343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).