1-ethyl-3-(3-ethylsulfanylcyclopentyl)-1-methylurea

C11H22N2OS — CID 103715144

IUPAC1-ethyl-3-(3-ethylsulfanylcyclopentyl)-1-methylurea
SMILESCCSC1CCC(NC(=O)N(C)CC)C1
InChIInChI=1S/C11H22N2OS/c1-4-13(3)11(14)12-9-6-7-10(8-9)15-5-2/h9-10H,4-8H2,1-3H3,(H,12,14)
InChIKeyMOOQFHCIDYZQNO-UHFFFAOYSA-N
MW230.38 g/mol
LogP2.32
Rot. Bonds4

About 1-ethyl-3-(3-ethylsulfanylcyclopentyl)-1-methylurea

1-ethyl-3-(3-ethylsulfanylcyclopentyl)-1-methylurea (PubChem CID 103715144) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 1-ethyl-3-(3-ethylsulfanylcyclopentyl)-1-methylurea.

Molecular Properties

Compound Name1-ethyl-3-(3-ethylsulfanylcyclopentyl)-1-methylurea
PubChem CID103715144
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name1-ethyl-3-(3-ethylsulfanylcyclopentyl)-1-methylurea
SMILESCCSC1CCC(NC(=O)N(C)CC)C1
InChIInChI=1S/C11H22N2OS/c1-4-13(3)11(14)12-9-6-7-10(8-9)15-5-2/h9-10H,4-8H2,1-3H3,(H,12,14)
InChIKeyMOOQFHCIDYZQNO-UHFFFAOYSA-N
XLogP2.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1S,3R)-3-ethylsulfanylcyclopentyl]-1-[(4-hydroxyphenyl)methyl]-1-methylurea
CID 97029971
2-amino-N-(3-ethylsulfanylcyclopentyl)propanamide
CID 103797921
N-(3-ethylsulfanylcyclopentyl)-4-oxopentanamide
CID 103713860
3-(3-ethylsulfanylcyclopentyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111509144
2-cyano-N-(3-ethylsulfanylcyclopentyl)propanamide
CID 103713466
2-[methyl-[(3-methylsulfanylcyclopentyl)carbamoyl]amino]butanoic acid
CID 114123994
1-cyano-N-(3-ethylsulfanylcyclopentyl)cyclobutane-1-carboxamide
CID 103709508
2-amino-N-(3-ethylsulfanylcyclopentyl)cyclopentane-1-carboxamide
CID 113267227
2-[(3-ethylsulfanylcyclopentyl)carbamoyl]-3,3-dimethylbutanoic acid
CID 114124290
3-[(1R,3R)-3-ethylsulfanylcyclohexyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 97058866
3-amino-N-(3-ethylsulfanylcyclopentyl)-2,2-dimethyl-3-sulfanylidenepropanamide
CID 114123292
4-ethyl-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]piperazine-1-carboxamide
CID 95969263

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-ethylsulfanylcyclopentyl)-1-methylurea?
The IUPAC name of 1-ethyl-3-(3-ethylsulfanylcyclopentyl)-1-methylurea (CID 103715144) is 1-ethyl-3-(3-ethylsulfanylcyclopentyl)-1-methylurea.
What is the SMILES notation for 1-ethyl-3-(3-ethylsulfanylcyclopentyl)-1-methylurea?
The canonical SMILES for 1-ethyl-3-(3-ethylsulfanylcyclopentyl)-1-methylurea is CCSC1CCC(NC(=O)N(C)CC)C1.
What is the InChIKey of 1-ethyl-3-(3-ethylsulfanylcyclopentyl)-1-methylurea?
The InChIKey is MOOQFHCIDYZQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-4-13(3)11(14)12-9-6-7-10(8-9)15-5-2/h9-10H,4-8H2,1-3H3,(H,12,14).
What are the key properties of 1-ethyl-3-(3-ethylsulfanylcyclopentyl)-1-methylurea?
1-ethyl-3-(3-ethylsulfanylcyclopentyl)-1-methylurea has a molecular weight of 230.38 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-ethylsulfanylcyclopentyl)-1-methylurea is sourced from PubChem (CID 103715144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).