2,2-dimethyl-N-propyl-6-thiophen-2-ylsulfanylcyclohexan-1-amine

C15H25NS2 — CID 79847964

IUPAC2,2-dimethyl-N-propyl-6-thiophen-2-ylsulfanylcyclohexan-1-amine
SMILESCCCNC1C(Sc2cccs2)CCCC1(C)C
InChIInChI=1S/C15H25NS2/c1-4-10-16-14-12(7-5-9-15(14,2)3)18-13-8-6-11-17-13/h6,8,11-12,14,16H,4-5,7,9-10H2,1-3H3
InChIKeyUURLIMGTCSKUEH-UHFFFAOYSA-N
MW283.51 g/mol
LogP4.79
Rot. Bonds5

About 2,2-dimethyl-N-propyl-6-thiophen-2-ylsulfanylcyclohexan-1-amine

2,2-dimethyl-N-propyl-6-thiophen-2-ylsulfanylcyclohexan-1-amine (PubChem CID 79847964) has the molecular formula C15H25NS2 and a molecular weight of 283.51 g/mol. Its IUPAC name is 2,2-dimethyl-N-propyl-6-thiophen-2-ylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-propyl-6-thiophen-2-ylsulfanylcyclohexan-1-amine
PubChem CID79847964
Molecular FormulaC15H25NS2
Molecular Weight283.51 g/mol
Exact Mass283.14
IUPAC Name2,2-dimethyl-N-propyl-6-thiophen-2-ylsulfanylcyclohexan-1-amine
SMILESCCCNC1C(Sc2cccs2)CCCC1(C)C
InChIInChI=1S/C15H25NS2/c1-4-10-16-14-12(7-5-9-15(14,2)3)18-13-8-6-11-17-13/h6,8,11-12,14,16H,4-5,7,9-10H2,1-3H3
InChIKeyUURLIMGTCSKUEH-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.51
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-propyl-6-thiophen-2-ylsulfanylcyclohexan-1-amine?
The IUPAC name of 2,2-dimethyl-N-propyl-6-thiophen-2-ylsulfanylcyclohexan-1-amine (CID 79847964) is 2,2-dimethyl-N-propyl-6-thiophen-2-ylsulfanylcyclohexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-propyl-6-thiophen-2-ylsulfanylcyclohexan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-propyl-6-thiophen-2-ylsulfanylcyclohexan-1-amine is CCCNC1C(Sc2cccs2)CCCC1(C)C.
What is the InChIKey of 2,2-dimethyl-N-propyl-6-thiophen-2-ylsulfanylcyclohexan-1-amine?
The InChIKey is UURLIMGTCSKUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS2/c1-4-10-16-14-12(7-5-9-15(14,2)3)18-13-8-6-11-17-13/h6,8,11-12,14,16H,4-5,7,9-10H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-propyl-6-thiophen-2-ylsulfanylcyclohexan-1-amine?
2,2-dimethyl-N-propyl-6-thiophen-2-ylsulfanylcyclohexan-1-amine has a molecular weight of 283.51 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-propyl-6-thiophen-2-ylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 79847964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).