1-cyclobutyl-3-[(2S)-2-hydroxypropyl]thiourea

C8H16N2OS — CID 131160107

IUPAC1-cyclobutyl-3-[(2S)-2-hydroxypropyl]thiourea
SMILESC[C@H](O)CNC(=S)NC1CCC1
InChIInChI=1S/C8H16N2OS/c1-6(11)5-9-8(12)10-7-3-2-4-7/h6-7,11H,2-5H2,1H3,(H2,9,10,12)/t6-/m0/s1
InChIKeySEMBWMMPDYQDBB-LURJTMIESA-N
MW188.30 g/mol
LogP0.38
Rot. Bonds3

About 1-cyclobutyl-3-[(2S)-2-hydroxypropyl]thiourea

1-cyclobutyl-3-[(2S)-2-hydroxypropyl]thiourea (PubChem CID 131160107) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is 1-cyclobutyl-3-[(2S)-2-hydroxypropyl]thiourea.

Molecular Properties

Compound Name1-cyclobutyl-3-[(2S)-2-hydroxypropyl]thiourea
PubChem CID131160107
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC Name1-cyclobutyl-3-[(2S)-2-hydroxypropyl]thiourea
SMILESC[C@H](O)CNC(=S)NC1CCC1
InChIInChI=1S/C8H16N2OS/c1-6(11)5-9-8(12)10-7-3-2-4-7/h6-7,11H,2-5H2,1H3,(H2,9,10,12)/t6-/m0/s1
InChIKeySEMBWMMPDYQDBB-LURJTMIESA-N
XLogP0.38
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-3-(2,3-dimethylbutyl)thiourea
CID 116508951
1-(4-methylcycloheptyl)-3-(2-methylpropyl)thiourea
CID 102794704
1-cyclopentyl-3-[2-(dimethylamino)propyl]thiourea
CID 116508117
1-cyclopentyl-3-(2,2-difluoroethyl)thiourea
CID 116509660
1-cyclopentyl-3-[(2R)-2-hydroxypropyl]urea
CID 83040450
1-cyclohexyl-3-(2,2-dicyclopropylethyl)thiourea
CID 115662423
1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[(2S)-2-hydroxypropyl]thiourea
CID 11859375
1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[(2R)-2-hydroxypropyl]thiourea
CID 98387964
1-but-3-yn-2-yl-3-cyclobutylthiourea
CID 130742363
2-(cyclohexylcarbamothioylamino)-N-(2-methylpropyl)acetamide
CID 49154483
1-(1-ethylpiperidin-4-yl)-3-(2-methylpropyl)thiourea
CID 17264003
N'-cyclopropyl-N-[(2R)-2-hydroxypropyl]oxamide
CID 51471601

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-[(2S)-2-hydroxypropyl]thiourea?
The IUPAC name of 1-cyclobutyl-3-[(2S)-2-hydroxypropyl]thiourea (CID 131160107) is 1-cyclobutyl-3-[(2S)-2-hydroxypropyl]thiourea.
What is the SMILES notation for 1-cyclobutyl-3-[(2S)-2-hydroxypropyl]thiourea?
The canonical SMILES for 1-cyclobutyl-3-[(2S)-2-hydroxypropyl]thiourea is C[C@H](O)CNC(=S)NC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-[(2S)-2-hydroxypropyl]thiourea?
The InChIKey is SEMBWMMPDYQDBB-LURJTMIESA-N. The full InChI is InChI=1S/C8H16N2OS/c1-6(11)5-9-8(12)10-7-3-2-4-7/h6-7,11H,2-5H2,1H3,(H2,9,10,12)/t6-/m0/s1.
What are the key properties of 1-cyclobutyl-3-[(2S)-2-hydroxypropyl]thiourea?
1-cyclobutyl-3-[(2S)-2-hydroxypropyl]thiourea has a molecular weight of 188.30 g/mol, XLogP of 0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-[(2S)-2-hydroxypropyl]thiourea is sourced from PubChem (CID 131160107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).