N,4-diethyl-2-phenylsulfanylcyclohexan-1-amine

C16H25NS — CID 64620754

IUPACN,4-diethyl-2-phenylsulfanylcyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1Sc1ccccc1
InChIInChI=1S/C16H25NS/c1-3-13-10-11-15(17-4-2)16(12-13)18-14-8-6-5-7-9-14/h5-9,13,15-17H,3-4,10-12H2,1-2H3
InChIKeyYSPLOBRPZNWTTQ-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.34
Rot. Bonds5

About N,4-diethyl-2-phenylsulfanylcyclohexan-1-amine

N,4-diethyl-2-phenylsulfanylcyclohexan-1-amine (PubChem CID 64620754) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is N,4-diethyl-2-phenylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN,4-diethyl-2-phenylsulfanylcyclohexan-1-amine
PubChem CID64620754
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC NameN,4-diethyl-2-phenylsulfanylcyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1Sc1ccccc1
InChIInChI=1S/C16H25NS/c1-3-13-10-11-15(17-4-2)16(12-13)18-14-8-6-5-7-9-14/h5-9,13,15-17H,3-4,10-12H2,1-2H3
InChIKeyYSPLOBRPZNWTTQ-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-phenylsulfanyl-N-propylcyclohexan-1-amine
CID 64621345
N,4-diethyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine
CID 64648516
2-(1H-benzimidazol-2-ylsulfanyl)-N,4-diethylcyclohexan-1-amine
CID 64621304
N,4-diethyl-2-[(2-methylphenyl)methylsulfanyl]cyclohexan-1-amine
CID 64634391
N,4-diethyl-2-(4-methylpyrimidin-2-yl)sulfanylcyclohexan-1-amine
CID 64634854
2-[(5-bromo-2-pyridinyl)sulfanyl]-N,4-diethylcyclohexan-1-amine
CID 64631654
N,4-diethyl-2-(furan-2-ylmethylsulfanyl)cyclohexan-1-amine
CID 64609685
N,4-diethyl-2-[(3-methylphenyl)methylsulfanyl]cyclohexan-1-amine
CID 64634179
4-tert-butyl-2-phenylsulfanyl-N-propylcyclohexan-1-amine
CID 64621738
2-(3-bromophenyl)sulfanyl-N-ethyl-4-methylcyclohexan-1-amine
CID 64632990
N-[4-[5-ethyl-2-(methylamino)cyclohexyl]sulfanylphenyl]acetamide
CID 64648574
4-ethyl-2-(2-fluorophenyl)sulfanyl-N-methylcyclohexan-1-amine
CID 64620075

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-2-phenylsulfanylcyclohexan-1-amine?
The IUPAC name of N,4-diethyl-2-phenylsulfanylcyclohexan-1-amine (CID 64620754) is N,4-diethyl-2-phenylsulfanylcyclohexan-1-amine.
What is the SMILES notation for N,4-diethyl-2-phenylsulfanylcyclohexan-1-amine?
The canonical SMILES for N,4-diethyl-2-phenylsulfanylcyclohexan-1-amine is CCNC1CCC(CC)CC1Sc1ccccc1.
What is the InChIKey of N,4-diethyl-2-phenylsulfanylcyclohexan-1-amine?
The InChIKey is YSPLOBRPZNWTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-3-13-10-11-15(17-4-2)16(12-13)18-14-8-6-5-7-9-14/h5-9,13,15-17H,3-4,10-12H2,1-2H3.
What are the key properties of N,4-diethyl-2-phenylsulfanylcyclohexan-1-amine?
N,4-diethyl-2-phenylsulfanylcyclohexan-1-amine has a molecular weight of 263.45 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-2-phenylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 64620754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).