1-(3-ethylsulfanylcyclopentyl)-3-[(1-methoxycyclobutyl)methyl]urea

C14H26N2O2S — CID 86785504

IUPAC1-(3-ethylsulfanylcyclopentyl)-3-[(1-methoxycyclobutyl)methyl]urea
SMILESCCSC1CCC(NC(=O)NCC2(OC)CCC2)C1
InChIInChI=1S/C14H26N2O2S/c1-3-19-12-6-5-11(9-12)16-13(17)15-10-14(18-2)7-4-8-14/h11-12H,3-10H2,1-2H3,(H2,15,16,17)
InChIKeyAOCIEEZREFTKKV-UHFFFAOYSA-N
MW286.44 g/mol
LogP2.53
Rot. Bonds6

About 1-(3-ethylsulfanylcyclopentyl)-3-[(1-methoxycyclobutyl)methyl]urea

1-(3-ethylsulfanylcyclopentyl)-3-[(1-methoxycyclobutyl)methyl]urea (PubChem CID 86785504) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 1-(3-ethylsulfanylcyclopentyl)-3-[(1-methoxycyclobutyl)methyl]urea.

Molecular Properties

Compound Name1-(3-ethylsulfanylcyclopentyl)-3-[(1-methoxycyclobutyl)methyl]urea
PubChem CID86785504
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC Name1-(3-ethylsulfanylcyclopentyl)-3-[(1-methoxycyclobutyl)methyl]urea
SMILESCCSC1CCC(NC(=O)NCC2(OC)CCC2)C1
InChIInChI=1S/C14H26N2O2S/c1-3-19-12-6-5-11(9-12)16-13(17)15-10-14(18-2)7-4-8-14/h11-12H,3-10H2,1-2H3,(H2,15,16,17)
InChIKeyAOCIEEZREFTKKV-UHFFFAOYSA-N
XLogP2.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-ethylsulfanylcyclopentyl)-3-[(1-methoxycyclobutyl)methyl]urea 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

1-cyano-N-(3-ethylsulfanylcyclopentyl)cyclobutane-1-carboxamide
CID 103709508
1-[(1S,3R)-3-ethylsulfanylcyclopentyl]-3-[[(2S,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 129424091
1-[(1S,3R)-3-ethylsulfanylcyclopentyl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 129424092
1-[(1S,3R)-3-ethylsulfanylcyclopentyl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 129424093
2-[1-(aminomethyl)cyclobutyl]-N-(3-ethylsulfanylcyclopentyl)acetamide
CID 114123170
2-amino-N-(3-ethylsulfanylcyclopentyl)propanamide
CID 103797921
2-[(3-ethylsulfanylcyclopentyl)carbamoylamino]-3-methylbutanoic acid
CID 113364179
N-(3-ethylsulfanylcyclopentyl)-4-oxopentanamide
CID 103713860
1-ethyl-3-(3-ethylsulfanylcyclopentyl)-1-methylurea
CID 103715144
2-amino-N-(3-ethylsulfanylcyclopentyl)cyclopentane-1-carboxamide
CID 113267227
1-(2-cyclopropyloxan-4-yl)-3-(3-ethylsulfanylcyclopentyl)urea
CID 86793360
1-[(2R,4S)-2-cyclopropyloxan-4-yl]-3-[(1S,3R)-3-ethylsulfanylcyclopentyl]urea
CID 129445949

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfanylcyclopentyl)-3-[(1-methoxycyclobutyl)methyl]urea?
The IUPAC name of 1-(3-ethylsulfanylcyclopentyl)-3-[(1-methoxycyclobutyl)methyl]urea (CID 86785504) is 1-(3-ethylsulfanylcyclopentyl)-3-[(1-methoxycyclobutyl)methyl]urea.
What is the SMILES notation for 1-(3-ethylsulfanylcyclopentyl)-3-[(1-methoxycyclobutyl)methyl]urea?
The canonical SMILES for 1-(3-ethylsulfanylcyclopentyl)-3-[(1-methoxycyclobutyl)methyl]urea is CCSC1CCC(NC(=O)NCC2(OC)CCC2)C1.
What is the InChIKey of 1-(3-ethylsulfanylcyclopentyl)-3-[(1-methoxycyclobutyl)methyl]urea?
The InChIKey is AOCIEEZREFTKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-3-19-12-6-5-11(9-12)16-13(17)15-10-14(18-2)7-4-8-14/h11-12H,3-10H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-(3-ethylsulfanylcyclopentyl)-3-[(1-methoxycyclobutyl)methyl]urea?
1-(3-ethylsulfanylcyclopentyl)-3-[(1-methoxycyclobutyl)methyl]urea has a molecular weight of 286.44 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfanylcyclopentyl)-3-[(1-methoxycyclobutyl)methyl]urea is sourced from PubChem (CID 86785504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).