1-(1-methylcyclopentyl)-3-(2-methylpropyl)thiourea

C11H22N2S — CID 115593471

IUPAC1-(1-methylcyclopentyl)-3-(2-methylpropyl)thiourea
SMILESCC(C)CNC(=S)NC1(C)CCCC1
InChIInChI=1S/C11H22N2S/c1-9(2)8-12-10(14)13-11(3)6-4-5-7-11/h9H,4-8H2,1-3H3,(H2,12,13,14)
InChIKeySLMLFMYEKRLSRV-UHFFFAOYSA-N
MW214.38 g/mol
LogP2.44
Rot. Bonds3

About 1-(1-methylcyclopentyl)-3-(2-methylpropyl)thiourea

1-(1-methylcyclopentyl)-3-(2-methylpropyl)thiourea (PubChem CID 115593471) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 1-(1-methylcyclopentyl)-3-(2-methylpropyl)thiourea.

Molecular Properties

Compound Name1-(1-methylcyclopentyl)-3-(2-methylpropyl)thiourea
PubChem CID115593471
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name1-(1-methylcyclopentyl)-3-(2-methylpropyl)thiourea
SMILESCC(C)CNC(=S)NC1(C)CCCC1
InChIInChI=1S/C11H22N2S/c1-9(2)8-12-10(14)13-11(3)6-4-5-7-11/h9H,4-8H2,1-3H3,(H2,12,13,14)
InChIKeySLMLFMYEKRLSRV-UHFFFAOYSA-N
XLogP2.44
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.44
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)methyl]-3-(2-methylpropyl)thiourea
CID 115618766
1-[(2R)-2-hydroxypropyl]-3-(1-methylcyclopropyl)thiourea
CID 130636579
1-(2-methylpropyl)-3-[1-(trifluoromethyl)cyclopropyl]thiourea
CID 106217409
1-[(2-methyloxolan-2-yl)methyl]-3-(2-methylpropyl)thiourea
CID 115687378
1-(2-methylpropyl)-3-[(2-methylthiolan-2-yl)methyl]thiourea
CID 115693770
1-[[1-(dimethylamino)cyclobutyl]methyl]-3-(2-methylpropyl)thiourea
CID 105413208
1-methyl-N-(2-methylpropyl)cyclobutan-1-amine
CID 115877016
3,3-dimethyl-N-(2-methylpropyl)piperidine-1-carbothioamide
CID 115623852
1-(4-methyloxan-4-yl)-3-propylthiourea
CID 116510244
1-cyclopentyl-3-(1-methylcyclopentyl)thiourea
CID 116508968
1-(2-hydroxyethyl)-3-(2-methylpropyl)thiourea
CID 5061824
1-(3-methyloxan-3-yl)-3-propylthiourea
CID 103895749

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopentyl)-3-(2-methylpropyl)thiourea?
The IUPAC name of 1-(1-methylcyclopentyl)-3-(2-methylpropyl)thiourea (CID 115593471) is 1-(1-methylcyclopentyl)-3-(2-methylpropyl)thiourea.
What is the SMILES notation for 1-(1-methylcyclopentyl)-3-(2-methylpropyl)thiourea?
The canonical SMILES for 1-(1-methylcyclopentyl)-3-(2-methylpropyl)thiourea is CC(C)CNC(=S)NC1(C)CCCC1.
What is the InChIKey of 1-(1-methylcyclopentyl)-3-(2-methylpropyl)thiourea?
The InChIKey is SLMLFMYEKRLSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-9(2)8-12-10(14)13-11(3)6-4-5-7-11/h9H,4-8H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-(1-methylcyclopentyl)-3-(2-methylpropyl)thiourea?
1-(1-methylcyclopentyl)-3-(2-methylpropyl)thiourea has a molecular weight of 214.38 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopentyl)-3-(2-methylpropyl)thiourea is sourced from PubChem (CID 115593471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).