1-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)thiourea

C12H24N2S — CID 115618766

IUPAC1-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)thiourea
SMILESCC(C)CNC(=S)NCC1(C)CCCC1
InChIInChI=1S/C12H24N2S/c1-10(2)8-13-11(15)14-9-12(3)6-4-5-7-12/h10H,4-9H2,1-3H3,(H2,13,14,15)
InChIKeyGQUHVFFRUUSSSX-UHFFFAOYSA-N
MW228.40 g/mol
LogP2.69
Rot. Bonds4

About 1-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)thiourea

1-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)thiourea (PubChem CID 115618766) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 1-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)thiourea.

Molecular Properties

Compound Name1-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)thiourea
PubChem CID115618766
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name1-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)thiourea
SMILESCC(C)CNC(=S)NCC1(C)CCCC1
InChIInChI=1S/C12H24N2S/c1-10(2)8-13-11(15)14-9-12(3)6-4-5-7-12/h10H,4-9H2,1-3H3,(H2,13,14,15)
InChIKeyGQUHVFFRUUSSSX-UHFFFAOYSA-N
XLogP2.69
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1-methylcyclopentyl)-3-(2-methylpropyl)thiourea
CID 115593471
1-(2-methylpropyl)-3-[(2-methylthiolan-2-yl)methyl]thiourea
CID 115693770
1-[(2-methyloxolan-2-yl)methyl]-3-(2-methylpropyl)thiourea
CID 115687378
1-[[1-(dimethylamino)cyclobutyl]methyl]-3-(2-methylpropyl)thiourea
CID 105413208
1-[(1-methylcyclopentyl)methyl]-3-propylthiourea
CID 115618763
2-methyl-N-[(1-methylcyclobutyl)methyl]propan-1-amine
CID 65196169
1-cyclopentyl-3-[(1-methylcyclopentyl)methyl]thiourea
CID 116508698
(2S)-2-amino-4-methyl-N-[(1-methylcyclopentyl)methyl]pentanamide;hydrochloride
CID 119780580
N'-[(1-methylcyclohexyl)methyl]-N-(2-methylpropyl)ethane-1,2-diamine
CID 106827227
1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-propan-2-ylthiourea
CID 103975349
3,3-dimethyl-N-(2-methylpropyl)piperidine-1-carbothioamide
CID 115623852
1-(2-hydroxyethyl)-3-(2-methylpropyl)thiourea
CID 5061824

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)thiourea?
The IUPAC name of 1-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)thiourea (CID 115618766) is 1-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)thiourea.
What is the SMILES notation for 1-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)thiourea?
The canonical SMILES for 1-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)thiourea is CC(C)CNC(=S)NCC1(C)CCCC1.
What is the InChIKey of 1-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)thiourea?
The InChIKey is GQUHVFFRUUSSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-10(2)8-13-11(15)14-9-12(3)6-4-5-7-12/h10H,4-9H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)thiourea?
1-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)thiourea has a molecular weight of 228.40 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)thiourea is sourced from PubChem (CID 115618766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).