1,1-diethyl-3-(thiolan-3-yl)urea

C9H18N2OS — CID 103698014

IUPAC1,1-diethyl-3-(thiolan-3-yl)urea
SMILESCCN(CC)C(=O)NC1CCSC1
InChIInChI=1S/C9H18N2OS/c1-3-11(4-2)9(12)10-8-5-6-13-7-8/h8H,3-7H2,1-2H3,(H,10,12)
InChIKeyQPWJEGMMIOYSHH-UHFFFAOYSA-N
MW202.32 g/mol
LogP1.54
Rot. Bonds3

About 1,1-diethyl-3-(thiolan-3-yl)urea

1,1-diethyl-3-(thiolan-3-yl)urea (PubChem CID 103698014) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 1,1-diethyl-3-(thiolan-3-yl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(thiolan-3-yl)urea
PubChem CID103698014
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name1,1-diethyl-3-(thiolan-3-yl)urea
SMILESCCN(CC)C(=O)NC1CCSC1
InChIInChI=1S/C9H18N2OS/c1-3-11(4-2)9(12)10-8-5-6-13-7-8/h8H,3-7H2,1-2H3,(H,10,12)
InChIKeyQPWJEGMMIOYSHH-UHFFFAOYSA-N
XLogP1.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl(thiolan-3-ylcarbamoyl)amino]butanoic acid
CID 103064081
2-cyclopropyl-N-(thiolan-3-yl)propanamide
CID 127000268
2-methyl-3-[methyl(thiolan-3-ylcarbamoyl)amino]propanoic acid
CID 103064184
3-amino-N-(thiolan-3-yl)butanamide
CID 103811759
4-hydroxy-N-(thiolan-3-yl)pentanamide
CID 103064924
2-fluoro-2-methyl-N-(thiolan-3-yl)propanamide
CID 130165186
2-bromo-2-methyl-N-(thiolan-3-yl)propanamide
CID 103062720
2-methyl-2-(thiolan-3-ylcarbamoylamino)butanoic acid
CID 103064032
bis(N-methylthiolan-3-amine);oxalic acid
CID 72716278
2-(azetidin-3-yl)-N-(thiolan-3-yl)propanamide
CID 103063076
3-(azepan-3-yl)-1,1-diethylurea
CID 79160886
1-(2-hydroxypropyl)-3-(thiolan-3-yl)urea
CID 117234419

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(thiolan-3-yl)urea?
The IUPAC name of 1,1-diethyl-3-(thiolan-3-yl)urea (CID 103698014) is 1,1-diethyl-3-(thiolan-3-yl)urea.
What is the SMILES notation for 1,1-diethyl-3-(thiolan-3-yl)urea?
The canonical SMILES for 1,1-diethyl-3-(thiolan-3-yl)urea is CCN(CC)C(=O)NC1CCSC1.
What is the InChIKey of 1,1-diethyl-3-(thiolan-3-yl)urea?
The InChIKey is QPWJEGMMIOYSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-3-11(4-2)9(12)10-8-5-6-13-7-8/h8H,3-7H2,1-2H3,(H,10,12).
What are the key properties of 1,1-diethyl-3-(thiolan-3-yl)urea?
1,1-diethyl-3-(thiolan-3-yl)urea has a molecular weight of 202.32 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(thiolan-3-yl)urea is sourced from PubChem (CID 103698014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).