1,1,3-trimethyl-3-[(3R)-thiolan-3-yl]urea

C8H16N2OS — CID 59831584

IUPAC1,1,3-trimethyl-3-[(3R)-thiolan-3-yl]urea
SMILESCN(C)C(=O)N(C)[C@@H]1CCSC1
InChIInChI=1S/C8H16N2OS/c1-9(2)8(11)10(3)7-4-5-12-6-7/h7H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyCNTLCUPZINYOOR-SSDOTTSWSA-N
MW188.30 g/mol
LogP1.11
Rot. Bonds1

About 1,1,3-trimethyl-3-[(3R)-thiolan-3-yl]urea

1,1,3-trimethyl-3-[(3R)-thiolan-3-yl]urea (PubChem CID 59831584) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is 1,1,3-trimethyl-3-[(3R)-thiolan-3-yl]urea.

Molecular Properties

Compound Name1,1,3-trimethyl-3-[(3R)-thiolan-3-yl]urea
PubChem CID59831584
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC Name1,1,3-trimethyl-3-[(3R)-thiolan-3-yl]urea
SMILESCN(C)C(=O)N(C)[C@@H]1CCSC1
InChIInChI=1S/C8H16N2OS/c1-9(2)8(11)10(3)7-4-5-12-6-7/h7H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyCNTLCUPZINYOOR-SSDOTTSWSA-N
XLogP1.11
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-3-(3-(methylsulfanyl)propyl)imidazolidin-2-one
CID 165675282
1-(1,1-Dioxidotetrahydrothiophen-3-yl)-1,3,3-trimethylurea
CID 3152337
1-[(3R)-1,1-dioxothiolan-3-yl]-1,3,3-trimethylurea
CID 7282876
1-[(3S)-1,1-dioxothiolan-3-yl]-1,3,3-trimethylurea
CID 7282877
1-[(3R)-1,1-dioxothiolan-3-yl]-1-ethyl-3,3-dimethylurea
CID 7735641
1-[(3S)-1,1-dioxothiolan-3-yl]-1-ethyl-3,3-dimethylurea
CID 7735643
1,3-Dimethyl-1-(1-methylsulfanylethyl)-3-propan-2-ylurea
CID 22093045
1-methyl-1-[(3R)-thiolan-3-yl]urea
CID 59831557
1-tert-butyl-1-[(3R)-thiolan-3-yl]urea
CID 59831564
1-tert-butyl-3-methyl-1-[(3S)-thiolan-3-yl]urea
CID 59831573
1-tert-butyl-3-methyl-1-[(3R)-thiolan-3-yl]urea
CID 59831597
1-ethyl-3-methyl-1-[(3R)-thiolan-3-yl]urea
CID 67582216

Frequently Asked Questions

What is the IUPAC name of 1,1,3-trimethyl-3-[(3R)-thiolan-3-yl]urea?
The IUPAC name of 1,1,3-trimethyl-3-[(3R)-thiolan-3-yl]urea (CID 59831584) is 1,1,3-trimethyl-3-[(3R)-thiolan-3-yl]urea.
What is the SMILES notation for 1,1,3-trimethyl-3-[(3R)-thiolan-3-yl]urea?
The canonical SMILES for 1,1,3-trimethyl-3-[(3R)-thiolan-3-yl]urea is CN(C)C(=O)N(C)[C@@H]1CCSC1.
What is the InChIKey of 1,1,3-trimethyl-3-[(3R)-thiolan-3-yl]urea?
The InChIKey is CNTLCUPZINYOOR-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-9(2)8(11)10(3)7-4-5-12-6-7/h7H,4-6H2,1-3H3/t7-/m1/s1.
What are the key properties of 1,1,3-trimethyl-3-[(3R)-thiolan-3-yl]urea?
1,1,3-trimethyl-3-[(3R)-thiolan-3-yl]urea has a molecular weight of 188.30 g/mol, XLogP of 1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trimethyl-3-[(3R)-thiolan-3-yl]urea is sourced from PubChem (CID 59831584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).