1-cyclohexyl-3-(1-methylsulfinylpropan-2-yl)thiourea

C11H22N2OS2 — CID 116510187

IUPAC1-cyclohexyl-3-(1-methylsulfinylpropan-2-yl)thiourea
SMILESCC(CS(C)=O)NC(=S)NC1CCCCC1
InChIInChI=1S/C11H22N2OS2/c1-9(8-16(2)14)12-11(15)13-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H2,12,13,15)
InChIKeyCGFKPOBCHMYTCI-UHFFFAOYSA-N
MW262.44 g/mol
LogP1.55
Rot. Bonds4

About 1-cyclohexyl-3-(1-methylsulfinylpropan-2-yl)thiourea

1-cyclohexyl-3-(1-methylsulfinylpropan-2-yl)thiourea (PubChem CID 116510187) has the molecular formula C11H22N2OS2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-cyclohexyl-3-(1-methylsulfinylpropan-2-yl)thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-(1-methylsulfinylpropan-2-yl)thiourea
PubChem CID116510187
Molecular FormulaC11H22N2OS2
Molecular Weight262.44 g/mol
Exact Mass262.12
IUPAC Name1-cyclohexyl-3-(1-methylsulfinylpropan-2-yl)thiourea
SMILESCC(CS(C)=O)NC(=S)NC1CCCCC1
InChIInChI=1S/C11H22N2OS2/c1-9(8-16(2)14)12-11(15)13-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H2,12,13,15)
InChIKeyCGFKPOBCHMYTCI-UHFFFAOYSA-N
XLogP1.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[(2S)-butan-2-yl]-3-cyclohexylthiourea
CID 799366
1-cyclohexyl-3-pentan-2-ylthiourea
CID 19652331
N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]cycloheptanecarboxamide
CID 97351327
1-cyclohexyl-3-(4,4,4-trifluorobutan-2-yl)thiourea
CID 104859022
(2R)-2-(cyclohexylcarbamothioylamino)propanoic acid
CID 40571788
2-(cyclohexylcarbamothioylamino)propanoic acid
CID 4134493
1-cyclohexyl-3-(1-cyclopropylethyl)thiourea
CID 115573118
1-cyclopentyl-3-(2-methylsulfinylethyl)thiourea
CID 116510153
1-cyclohexyl-3-(4-methylsulfinylbutan-2-yl)urea
CID 115698103
1-cyclohexyl-3-(1-morpholin-4-ylpropan-2-yl)thiourea
CID 115583267
1-cyclopentyl-3-(3-methylsulfinylbutyl)thiourea
CID 116510241
1-cyclopentyl-3-(3,3-dimethylbutan-2-yl)thiourea
CID 19676391

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(1-methylsulfinylpropan-2-yl)thiourea?
The IUPAC name of 1-cyclohexyl-3-(1-methylsulfinylpropan-2-yl)thiourea (CID 116510187) is 1-cyclohexyl-3-(1-methylsulfinylpropan-2-yl)thiourea.
What is the SMILES notation for 1-cyclohexyl-3-(1-methylsulfinylpropan-2-yl)thiourea?
The canonical SMILES for 1-cyclohexyl-3-(1-methylsulfinylpropan-2-yl)thiourea is CC(CS(C)=O)NC(=S)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(1-methylsulfinylpropan-2-yl)thiourea?
The InChIKey is CGFKPOBCHMYTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS2/c1-9(8-16(2)14)12-11(15)13-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H2,12,13,15).
What are the key properties of 1-cyclohexyl-3-(1-methylsulfinylpropan-2-yl)thiourea?
1-cyclohexyl-3-(1-methylsulfinylpropan-2-yl)thiourea has a molecular weight of 262.44 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(1-methylsulfinylpropan-2-yl)thiourea is sourced from PubChem (CID 116510187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).