3-cyclopropyl-1-(2-ethylsulfanylcyclopentyl)-1,4-diazepane

C15H28N2S — CID 114121931

IUPAC3-cyclopropyl-1-(2-ethylsulfanylcyclopentyl)-1,4-diazepane
SMILESCCSC1CCCC1N1CCCNC(C2CC2)C1
InChIInChI=1S/C15H28N2S/c1-2-18-15-6-3-5-14(15)17-10-4-9-16-13(11-17)12-7-8-12/h12-16H,2-11H2,1H3
InChIKeyQAYCDWZRCIUGNA-UHFFFAOYSA-N
MW268.47 g/mol
LogP2.73
Rot. Bonds4

About 3-cyclopropyl-1-(2-ethylsulfanylcyclopentyl)-1,4-diazepane

3-cyclopropyl-1-(2-ethylsulfanylcyclopentyl)-1,4-diazepane (PubChem CID 114121931) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2-ethylsulfanylcyclopentyl)-1,4-diazepane.

Molecular Properties

Compound Name3-cyclopropyl-1-(2-ethylsulfanylcyclopentyl)-1,4-diazepane
PubChem CID114121931
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC Name3-cyclopropyl-1-(2-ethylsulfanylcyclopentyl)-1,4-diazepane
SMILESCCSC1CCCC1N1CCCNC(C2CC2)C1
InChIInChI=1S/C15H28N2S/c1-2-18-15-6-3-5-14(15)17-10-4-9-16-13(11-17)12-7-8-12/h12-16H,2-11H2,1H3
InChIKeyQAYCDWZRCIUGNA-UHFFFAOYSA-N
XLogP2.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyclopropyl-1-(2-ethylsulfanylcyclopentyl)-1,4-diazepane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclopropyl-1-(4-ethylcyclohexyl)-1,4-diazepane
CID 64943423
3-cyclopropyl-1-(1-methylpiperidin-4-yl)-1,4-diazepane
CID 64944124
3-cyclopropyl-1-(2-ethylsulfanylcyclopentyl)-3-methylpiperazine
CID 114121917
1-cycloheptyl-3-cyclohexyl-1,4-diazepane
CID 64945306
3-cyclohexyl-1-(2-methoxycyclopentyl)piperazine
CID 64954553
3-cyclopropyl-1-(2-methylbutyl)-1,4-diazepane
CID 64871916
3-cyclopropyl-1-(2,2-dimethylpropyl)-1,4-diazepane
CID 64943808
3-cyclopropyl-1-hexan-2-yl-1,4-diazepane
CID 64950354
6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678711
3-cyclopropyl-1-heptan-2-yl-1,4-diazepane
CID 64945390
3-cyclohexyl-1-(oxan-4-yl)-1,4-diazepane
CID 64942966
1-cyclooctyl-3-cyclopropylpiperazine
CID 64924583

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2-ethylsulfanylcyclopentyl)-1,4-diazepane?
The IUPAC name of 3-cyclopropyl-1-(2-ethylsulfanylcyclopentyl)-1,4-diazepane (CID 114121931) is 3-cyclopropyl-1-(2-ethylsulfanylcyclopentyl)-1,4-diazepane.
What is the SMILES notation for 3-cyclopropyl-1-(2-ethylsulfanylcyclopentyl)-1,4-diazepane?
The canonical SMILES for 3-cyclopropyl-1-(2-ethylsulfanylcyclopentyl)-1,4-diazepane is CCSC1CCCC1N1CCCNC(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-1-(2-ethylsulfanylcyclopentyl)-1,4-diazepane?
The InChIKey is QAYCDWZRCIUGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-2-18-15-6-3-5-14(15)17-10-4-9-16-13(11-17)12-7-8-12/h12-16H,2-11H2,1H3.
What are the key properties of 3-cyclopropyl-1-(2-ethylsulfanylcyclopentyl)-1,4-diazepane?
3-cyclopropyl-1-(2-ethylsulfanylcyclopentyl)-1,4-diazepane has a molecular weight of 268.47 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2-ethylsulfanylcyclopentyl)-1,4-diazepane is sourced from PubChem (CID 114121931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).