1-[(1-methylcyclopentyl)methyl]-3-propylthiourea

C11H22N2S — CID 115618763

IUPAC1-[(1-methylcyclopentyl)methyl]-3-propylthiourea
SMILESCCCNC(=S)NCC1(C)CCCC1
InChIInChI=1S/C11H22N2S/c1-3-8-12-10(14)13-9-11(2)6-4-5-7-11/h3-9H2,1-2H3,(H2,12,13,14)
InChIKeyDVVIVXQXARFEJU-UHFFFAOYSA-N
MW214.38 g/mol
LogP2.44
Rot. Bonds4

About 1-[(1-methylcyclopentyl)methyl]-3-propylthiourea

1-[(1-methylcyclopentyl)methyl]-3-propylthiourea (PubChem CID 115618763) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 1-[(1-methylcyclopentyl)methyl]-3-propylthiourea.

Molecular Properties

Compound Name1-[(1-methylcyclopentyl)methyl]-3-propylthiourea
PubChem CID115618763
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name1-[(1-methylcyclopentyl)methyl]-3-propylthiourea
SMILESCCCNC(=S)NCC1(C)CCCC1
InChIInChI=1S/C11H22N2S/c1-3-8-12-10(14)13-9-11(2)6-4-5-7-11/h3-9H2,1-2H3,(H2,12,13,14)
InChIKeyDVVIVXQXARFEJU-UHFFFAOYSA-N
XLogP2.44
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
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
N-[(1-methylcyclopentyl)methyl]-2-(propylamino)acetamide
CID 63829967
1-cyclopentyl-3-[(1-methylcyclopentyl)methyl]thiourea
CID 116508698
1-(3-methoxypropyl)-3-[(1-methylcyclopropyl)methyl]thiourea
CID 103723918
1-(2-hydroxyethyl)-3-propylthiourea
CID 2824653
N-[(1-methylcycloheptyl)methyl]acetamide
CID 127751208
1-(4-methyloxan-4-yl)-3-propylthiourea
CID 116510244
1-(3-methyloxan-3-yl)-3-propylthiourea
CID 103895749
1,1-diethyl-3-[(1-methylcyclopentyl)methyl]urea
CID 115618855
2-amino-N-[(1-methylcyclohexyl)methyl]hexanamide
CID 103832772
N-[(1-methylcyclopropyl)methyl]propan-1-amine
CID 66025109
N-[(1-methylcyclopentyl)methyl]-4-(propylamino)oxolane-3-carboxamide
CID 66257137

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylcyclopentyl)methyl]-3-propylthiourea?
The IUPAC name of 1-[(1-methylcyclopentyl)methyl]-3-propylthiourea (CID 115618763) is 1-[(1-methylcyclopentyl)methyl]-3-propylthiourea.
What is the SMILES notation for 1-[(1-methylcyclopentyl)methyl]-3-propylthiourea?
The canonical SMILES for 1-[(1-methylcyclopentyl)methyl]-3-propylthiourea is CCCNC(=S)NCC1(C)CCCC1.
What is the InChIKey of 1-[(1-methylcyclopentyl)methyl]-3-propylthiourea?
The InChIKey is DVVIVXQXARFEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-3-8-12-10(14)13-9-11(2)6-4-5-7-11/h3-9H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-[(1-methylcyclopentyl)methyl]-3-propylthiourea?
1-[(1-methylcyclopentyl)methyl]-3-propylthiourea has a molecular weight of 214.38 g/mol, XLogP of 2.44, 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-propylthiourea is sourced from PubChem (CID 115618763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).