2-(1,3-benzoxazol-2-ylsulfanyl)-N-ethyl-4-methylcyclohexan-1-amine

C16H22N2OS — CID 64650161

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-ethyl-4-methylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1Sc1nc2ccccc2o1
InChIInChI=1S/C16H22N2OS/c1-3-17-13-9-8-11(2)10-15(13)20-16-18-12-6-4-5-7-14(12)19-16/h4-7,11,13,15,17H,3,8-10H2,1-2H3
InChIKeyVUBSCPGJCHNTQU-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.09
Rot. Bonds4

About 2-(1,3-benzoxazol-2-ylsulfanyl)-N-ethyl-4-methylcyclohexan-1-amine

2-(1,3-benzoxazol-2-ylsulfanyl)-N-ethyl-4-methylcyclohexan-1-amine (PubChem CID 64650161) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-ethyl-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-ethyl-4-methylcyclohexan-1-amine
PubChem CID64650161
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-ethyl-4-methylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1Sc1nc2ccccc2o1
InChIInChI=1S/C16H22N2OS/c1-3-17-13-9-8-11(2)10-15(13)20-16-18-12-6-4-5-7-14(12)19-16/h4-7,11,13,15,17H,3,8-10H2,1-2H3
InChIKeyVUBSCPGJCHNTQU-UHFFFAOYSA-N
XLogP4.09
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-benzoxazol-2-ylsulfanyl)-N-propyloxan-4-amine
CID 64649376
N-ethyl-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine
CID 106927497
N-ethyl-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclohexan-1-amine
CID 64634362
N-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-3-methylcyclohexan-1-amine
CID 62577042
2-(3-bromophenyl)sulfanyl-N-ethyl-4-methylcyclohexan-1-amine
CID 64632990
2-(1,3-benzoxazol-2-ylsulfanyl)-N,4,4-trimethylcyclohexan-1-amine
CID 64647811
N-ethyl-4-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine
CID 64648028
2-[2-(ethylamino)-5-methylcyclohexyl]sulfanyl-1H-pyrimidin-6-one
CID 64611550
2-(1,3-benzoxazol-2-ylsulfanyl)-4,4-dimethylcyclohexan-1-amine
CID 64648781
2-(1H-benzimidazol-2-ylsulfanyl)-N,4-diethylcyclohexan-1-amine
CID 64621304
3-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylpropan-1-amine
CID 61386489
3-(1,3-benzoxazol-2-ylsulfanyl)-1-(ethylamino)cyclopentane-1-carboxamide
CID 79645704

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-ethyl-4-methylcyclohexan-1-amine?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-ethyl-4-methylcyclohexan-1-amine (CID 64650161) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-ethyl-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-ethyl-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-ethyl-4-methylcyclohexan-1-amine is CCNC1CCC(C)CC1Sc1nc2ccccc2o1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-ethyl-4-methylcyclohexan-1-amine?
The InChIKey is VUBSCPGJCHNTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-3-17-13-9-8-11(2)10-15(13)20-16-18-12-6-4-5-7-14(12)19-16/h4-7,11,13,15,17H,3,8-10H2,1-2H3.
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-ethyl-4-methylcyclohexan-1-amine?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-ethyl-4-methylcyclohexan-1-amine has a molecular weight of 290.43 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-ethyl-4-methylcyclohexan-1-amine is sourced from PubChem (CID 64650161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).