1-cyclopropyl-3-[[1-(2-methylpropyl)cyclopentyl]methyl]thiourea

C14H26N2S — CID 115687367

IUPAC1-cyclopropyl-3-[[1-(2-methylpropyl)cyclopentyl]methyl]thiourea
SMILESCC(C)CC1(CNC(=S)NC2CC2)CCCC1
InChIInChI=1S/C14H26N2S/c1-11(2)9-14(7-3-4-8-14)10-15-13(17)16-12-5-6-12/h11-12H,3-10H2,1-2H3,(H2,15,16,17)
InChIKeyNLSHKUHXYGBJBM-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.22
Rot. Bonds5

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

1-cyclopropyl-3-[[1-(2-methylpropyl)cyclopentyl]methyl]thiourea (PubChem CID 115687367) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[1-(2-methylpropyl)cyclopentyl]methyl]thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-[[1-(2-methylpropyl)cyclopentyl]methyl]thiourea
PubChem CID115687367
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name1-cyclopropyl-3-[[1-(2-methylpropyl)cyclopentyl]methyl]thiourea
SMILESCC(C)CC1(CNC(=S)NC2CC2)CCCC1
InChIInChI=1S/C14H26N2S/c1-11(2)9-14(7-3-4-8-14)10-15-13(17)16-12-5-6-12/h11-12H,3-10H2,1-2H3,(H2,15,16,17)
InChIKeyNLSHKUHXYGBJBM-UHFFFAOYSA-N
XLogP3.22
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.22
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-cyclopentyl-3-[(1-methylcyclopentyl)methyl]thiourea
CID 116508698
1-(3-ethoxypropyl)-3-[[1-(2-methylpropyl)cyclopentyl]methyl]thiourea
CID 116509453
1-(4-methylcycloheptyl)-3-(2-methylpropyl)thiourea
CID 102794704
1-cyclohexyl-3-[(1-methylsulfanylcyclopropyl)methyl]thiourea
CID 107265764
3-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119812295
1-[[1-(2-methylpropyl)cyclobutyl]methyl]-3-(6-oxopiperidin-3-yl)urea
CID 71971487
1-cyclobutyl-3-[(2S)-2-hydroxypropyl]thiourea
CID 131160107
1,1-difluoro-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propan-2-amine
CID 102869767
1-cyclohexyl-3-[(1-methoxycyclobutyl)methyl]thiourea
CID 113360608
methyl 2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-2-oxoacetate
CID 112617453
1-amino-N-[[1-(2-methylpropyl)cyclobutyl]methyl]cyclopropane-1-carboxamide
CID 119788836
1-cyclohexyl-3-[(1,4-dimethylpiperidin-4-yl)methyl]thiourea
CID 103975342

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[1-(2-methylpropyl)cyclopentyl]methyl]thiourea?
The IUPAC name of 1-cyclopropyl-3-[[1-(2-methylpropyl)cyclopentyl]methyl]thiourea (CID 115687367) is 1-cyclopropyl-3-[[1-(2-methylpropyl)cyclopentyl]methyl]thiourea.
What is the SMILES notation for 1-cyclopropyl-3-[[1-(2-methylpropyl)cyclopentyl]methyl]thiourea?
The canonical SMILES for 1-cyclopropyl-3-[[1-(2-methylpropyl)cyclopentyl]methyl]thiourea is CC(C)CC1(CNC(=S)NC2CC2)CCCC1.
What is the InChIKey of 1-cyclopropyl-3-[[1-(2-methylpropyl)cyclopentyl]methyl]thiourea?
The InChIKey is NLSHKUHXYGBJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-11(2)9-14(7-3-4-8-14)10-15-13(17)16-12-5-6-12/h11-12H,3-10H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-cyclopropyl-3-[[1-(2-methylpropyl)cyclopentyl]methyl]thiourea?
1-cyclopropyl-3-[[1-(2-methylpropyl)cyclopentyl]methyl]thiourea has a molecular weight of 254.44 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[1-(2-methylpropyl)cyclopentyl]methyl]thiourea is sourced from PubChem (CID 115687367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).