1-cyclobutyl-3-[1-(hydroxymethyl)cyclopropyl]thiourea

C9H16N2OS — CID 130678797

IUPAC1-cyclobutyl-3-[1-(hydroxymethyl)cyclopropyl]thiourea
SMILESOCC1(NC(=S)NC2CCC2)CC1
InChIInChI=1S/C9H16N2OS/c12-6-9(4-5-9)11-8(13)10-7-2-1-3-7/h7,12H,1-6H2,(H2,10,11,13)
InChIKeyYMBPSSKONJVJMK-UHFFFAOYSA-N
MW200.31 g/mol
LogP0.53
Rot. Bonds3

About 1-cyclobutyl-3-[1-(hydroxymethyl)cyclopropyl]thiourea

1-cyclobutyl-3-[1-(hydroxymethyl)cyclopropyl]thiourea (PubChem CID 130678797) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 1-cyclobutyl-3-[1-(hydroxymethyl)cyclopropyl]thiourea.

Molecular Properties

Compound Name1-cyclobutyl-3-[1-(hydroxymethyl)cyclopropyl]thiourea
PubChem CID130678797
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name1-cyclobutyl-3-[1-(hydroxymethyl)cyclopropyl]thiourea
SMILESOCC1(NC(=S)NC2CCC2)CC1
InChIInChI=1S/C9H16N2OS/c12-6-9(4-5-9)11-8(13)10-7-2-1-3-7/h7,12H,1-6H2,(H2,10,11,13)
InChIKeyYMBPSSKONJVJMK-UHFFFAOYSA-N
XLogP0.53
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 50.53
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-(1-methylcyclopentyl)thiourea
CID 116508968
N-[1-(hydroxymethyl)cyclopropyl]cycloheptanecarboxamide
CID 115764905
1-cyclopentyl-3-[(1-methylcyclopentyl)methyl]thiourea
CID 116508698
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[1-(hydroxymethyl)cyclopentyl]thiourea
CID 59202326
[1-(cyclopentylamino)cyclododecyl]methanol
CID 63428229
3-cyclohexyl-N-[1-(hydroxymethyl)cyclopropyl]propanamide
CID 115764878
2-[1-(cyclobutylcarbamoylamino)cyclobutyl]acetic acid
CID 79851699
N-[1-(hydroxymethyl)cyclobutyl]cycloheptanecarboxamide
CID 115878103
1-cyclobutyl-3-[(2S)-2-hydroxypropyl]thiourea
CID 131160107
1-cycloheptyl-3-[4-(cyclohexylcarbamothioylamino)butyl]thiourea
CID 131972404
2-cyclopentyl-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62517307
1-cyclohexyl-3-[(1-methylsulfanylcyclopropyl)methyl]thiourea
CID 107265764

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-[1-(hydroxymethyl)cyclopropyl]thiourea?
The IUPAC name of 1-cyclobutyl-3-[1-(hydroxymethyl)cyclopropyl]thiourea (CID 130678797) is 1-cyclobutyl-3-[1-(hydroxymethyl)cyclopropyl]thiourea.
What is the SMILES notation for 1-cyclobutyl-3-[1-(hydroxymethyl)cyclopropyl]thiourea?
The canonical SMILES for 1-cyclobutyl-3-[1-(hydroxymethyl)cyclopropyl]thiourea is OCC1(NC(=S)NC2CCC2)CC1.
What is the InChIKey of 1-cyclobutyl-3-[1-(hydroxymethyl)cyclopropyl]thiourea?
The InChIKey is YMBPSSKONJVJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c12-6-9(4-5-9)11-8(13)10-7-2-1-3-7/h7,12H,1-6H2,(H2,10,11,13).
What are the key properties of 1-cyclobutyl-3-[1-(hydroxymethyl)cyclopropyl]thiourea?
1-cyclobutyl-3-[1-(hydroxymethyl)cyclopropyl]thiourea has a molecular weight of 200.31 g/mol, XLogP of 0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-[1-(hydroxymethyl)cyclopropyl]thiourea is sourced from PubChem (CID 130678797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).