1-(2-hydroxyethyl)-3-[(1R,3R)-3-methylcyclohexyl]thiourea

C10H20N2OS — CID 12018509

IUPAC1-(2-hydroxyethyl)-3-[(1R,3R)-3-methylcyclohexyl]thiourea
SMILESC[C@@H]1CCC[C@@H](NC(=S)NCCO)C1
InChIInChI=1S/C10H20N2OS/c1-8-3-2-4-9(7-8)12-10(14)11-5-6-13/h8-9,13H,2-7H2,1H3,(H2,11,12,14)/t8-,9-/m1/s1
InChIKeyHRQPDSXXSJSJDE-RKDXNWHRSA-N
MW216.35 g/mol
LogP1.02
Rot. Bonds3

About 1-(2-hydroxyethyl)-3-[(1R,3R)-3-methylcyclohexyl]thiourea

1-(2-hydroxyethyl)-3-[(1R,3R)-3-methylcyclohexyl]thiourea (PubChem CID 12018509) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[(1R,3R)-3-methylcyclohexyl]thiourea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[(1R,3R)-3-methylcyclohexyl]thiourea
PubChem CID12018509
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name1-(2-hydroxyethyl)-3-[(1R,3R)-3-methylcyclohexyl]thiourea
SMILESC[C@@H]1CCC[C@@H](NC(=S)NCCO)C1
InChIInChI=1S/C10H20N2OS/c1-8-3-2-4-9(7-8)12-10(14)11-5-6-13/h8-9,13H,2-7H2,1H3,(H2,11,12,14)/t8-,9-/m1/s1
InChIKeyHRQPDSXXSJSJDE-RKDXNWHRSA-N
XLogP1.02
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[(1R,3R)-3-methylcyclohexyl]thiourea?
The IUPAC name of 1-(2-hydroxyethyl)-3-[(1R,3R)-3-methylcyclohexyl]thiourea (CID 12018509) is 1-(2-hydroxyethyl)-3-[(1R,3R)-3-methylcyclohexyl]thiourea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[(1R,3R)-3-methylcyclohexyl]thiourea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[(1R,3R)-3-methylcyclohexyl]thiourea is C[C@@H]1CCC[C@@H](NC(=S)NCCO)C1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[(1R,3R)-3-methylcyclohexyl]thiourea?
The InChIKey is HRQPDSXXSJSJDE-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-8-3-2-4-9(7-8)12-10(14)11-5-6-13/h8-9,13H,2-7H2,1H3,(H2,11,12,14)/t8-,9-/m1/s1.
What are the key properties of 1-(2-hydroxyethyl)-3-[(1R,3R)-3-methylcyclohexyl]thiourea?
1-(2-hydroxyethyl)-3-[(1R,3R)-3-methylcyclohexyl]thiourea has a molecular weight of 216.35 g/mol, XLogP of 1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[(1R,3R)-3-methylcyclohexyl]thiourea is sourced from PubChem (CID 12018509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).