3-cyclohexyl-1-(1-thiophen-2-ylethyl)-1,4-diazepane

C17H28N2S — CID 64944577

IUPAC3-cyclohexyl-1-(1-thiophen-2-ylethyl)-1,4-diazepane
SMILESCC(c1cccs1)N1CCCNC(C2CCCCC2)C1
InChIInChI=1S/C17H28N2S/c1-14(17-9-5-12-20-17)19-11-6-10-18-16(13-19)15-7-3-2-4-8-15/h5,9,12,14-16,18H,2-4,6-8,10-11,13H2,1H3
InChIKeyMAAPYJDWKOOQNG-UHFFFAOYSA-N
MW292.49 g/mol
LogP4.05
Rot. Bonds3

About 3-cyclohexyl-1-(1-thiophen-2-ylethyl)-1,4-diazepane

3-cyclohexyl-1-(1-thiophen-2-ylethyl)-1,4-diazepane (PubChem CID 64944577) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is 3-cyclohexyl-1-(1-thiophen-2-ylethyl)-1,4-diazepane.

Molecular Properties

Compound Name3-cyclohexyl-1-(1-thiophen-2-ylethyl)-1,4-diazepane
PubChem CID64944577
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC Name3-cyclohexyl-1-(1-thiophen-2-ylethyl)-1,4-diazepane
SMILESCC(c1cccs1)N1CCCNC(C2CCCCC2)C1
InChIInChI=1S/C17H28N2S/c1-14(17-9-5-12-20-17)19-11-6-10-18-16(13-19)15-7-3-2-4-8-15/h5,9,12,14-16,18H,2-4,6-8,10-11,13H2,1H3
InChIKeyMAAPYJDWKOOQNG-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-1-(1-thiophen-2-ylpropyl)-1,4-diazepane
CID 64942493
6-[cyclopropyl(thiophen-2-yl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678324
1-[1-(3-bromophenyl)ethyl]-3-cyclohexylpiperazine
CID 64953710
3-cyclohexyl-1-(3-methylpentan-2-yl)-1,4-diazepane
CID 64944397
[(3R)-1-[(1S)-1-thiophen-2-ylethyl]piperidin-3-yl]methanol
CID 98084280
(3S)-1-[(1S)-1-thiophen-2-ylethyl]pyrrolidin-3-amine
CID 93316384
3-cyclohexyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione
CID 64963749
(4aR,7aR)-6-[(1S)-1-phenylethyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 66771891
3-propyl-1-(1-thiophen-2-ylethyl)piperazine
CID 64925498
3-cyclohexyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64833084
2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 102683153
1-[1-(2,6-difluorophenyl)ethyl]-3-pyrrolidin-2-ylpiperidine
CID 60978666

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(1-thiophen-2-ylethyl)-1,4-diazepane?
The IUPAC name of 3-cyclohexyl-1-(1-thiophen-2-ylethyl)-1,4-diazepane (CID 64944577) is 3-cyclohexyl-1-(1-thiophen-2-ylethyl)-1,4-diazepane.
What is the SMILES notation for 3-cyclohexyl-1-(1-thiophen-2-ylethyl)-1,4-diazepane?
The canonical SMILES for 3-cyclohexyl-1-(1-thiophen-2-ylethyl)-1,4-diazepane is CC(c1cccs1)N1CCCNC(C2CCCCC2)C1.
What is the InChIKey of 3-cyclohexyl-1-(1-thiophen-2-ylethyl)-1,4-diazepane?
The InChIKey is MAAPYJDWKOOQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-14(17-9-5-12-20-17)19-11-6-10-18-16(13-19)15-7-3-2-4-8-15/h5,9,12,14-16,18H,2-4,6-8,10-11,13H2,1H3.
What are the key properties of 3-cyclohexyl-1-(1-thiophen-2-ylethyl)-1,4-diazepane?
3-cyclohexyl-1-(1-thiophen-2-ylethyl)-1,4-diazepane has a molecular weight of 292.49 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(1-thiophen-2-ylethyl)-1,4-diazepane is sourced from PubChem (CID 64944577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).