3-cyclopentyl-1-(cyclopropylmethyl)-1-ethylthiourea

C12H22N2S — CID 116508733

IUPAC3-cyclopentyl-1-(cyclopropylmethyl)-1-ethylthiourea
SMILESCCN(CC1CC1)C(=S)NC1CCCC1
InChIInChI=1S/C12H22N2S/c1-2-14(9-10-7-8-10)12(15)13-11-5-3-4-6-11/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyFPTDNOSACZOGJX-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.54
Rot. Bonds4

About 3-cyclopentyl-1-(cyclopropylmethyl)-1-ethylthiourea

3-cyclopentyl-1-(cyclopropylmethyl)-1-ethylthiourea (PubChem CID 116508733) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is 3-cyclopentyl-1-(cyclopropylmethyl)-1-ethylthiourea.

Molecular Properties

Compound Name3-cyclopentyl-1-(cyclopropylmethyl)-1-ethylthiourea
PubChem CID116508733
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name3-cyclopentyl-1-(cyclopropylmethyl)-1-ethylthiourea
SMILESCCN(CC1CC1)C(=S)NC1CCCC1
InChIInChI=1S/C12H22N2S/c1-2-14(9-10-7-8-10)12(15)13-11-5-3-4-6-11/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyFPTDNOSACZOGJX-UHFFFAOYSA-N
XLogP2.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(cyclopropylmethyl)-1-ethylthiourea?
The IUPAC name of 3-cyclopentyl-1-(cyclopropylmethyl)-1-ethylthiourea (CID 116508733) is 3-cyclopentyl-1-(cyclopropylmethyl)-1-ethylthiourea.
What is the SMILES notation for 3-cyclopentyl-1-(cyclopropylmethyl)-1-ethylthiourea?
The canonical SMILES for 3-cyclopentyl-1-(cyclopropylmethyl)-1-ethylthiourea is CCN(CC1CC1)C(=S)NC1CCCC1.
What is the InChIKey of 3-cyclopentyl-1-(cyclopropylmethyl)-1-ethylthiourea?
The InChIKey is FPTDNOSACZOGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-2-14(9-10-7-8-10)12(15)13-11-5-3-4-6-11/h10-11H,2-9H2,1H3,(H,13,15).
What are the key properties of 3-cyclopentyl-1-(cyclopropylmethyl)-1-ethylthiourea?
3-cyclopentyl-1-(cyclopropylmethyl)-1-ethylthiourea has a molecular weight of 226.39 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(cyclopropylmethyl)-1-ethylthiourea is sourced from PubChem (CID 116508733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).