3-cyclopentyl-1-methyl-1-propan-2-ylthiourea

C10H20N2S — CID 116507156

IUPAC3-cyclopentyl-1-methyl-1-propan-2-ylthiourea
SMILESCC(C)N(C)C(=S)NC1CCCC1
InChIInChI=1S/C10H20N2S/c1-8(2)12(3)10(13)11-9-6-4-5-7-9/h8-9H,4-7H2,1-3H3,(H,11,13)
InChIKeyNQPYOJDPONRUAU-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.14
Rot. Bonds2

About 3-cyclopentyl-1-methyl-1-propan-2-ylthiourea

3-cyclopentyl-1-methyl-1-propan-2-ylthiourea (PubChem CID 116507156) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 3-cyclopentyl-1-methyl-1-propan-2-ylthiourea.

Molecular Properties

Compound Name3-cyclopentyl-1-methyl-1-propan-2-ylthiourea
PubChem CID116507156
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name3-cyclopentyl-1-methyl-1-propan-2-ylthiourea
SMILESCC(C)N(C)C(=S)NC1CCCC1
InChIInChI=1S/C10H20N2S/c1-8(2)12(3)10(13)11-9-6-4-5-7-9/h8-9H,4-7H2,1-3H3,(H,11,13)
InChIKeyNQPYOJDPONRUAU-UHFFFAOYSA-N
XLogP2.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.14
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-methyl-1-propan-2-ylthiourea?
The IUPAC name of 3-cyclopentyl-1-methyl-1-propan-2-ylthiourea (CID 116507156) is 3-cyclopentyl-1-methyl-1-propan-2-ylthiourea.
What is the SMILES notation for 3-cyclopentyl-1-methyl-1-propan-2-ylthiourea?
The canonical SMILES for 3-cyclopentyl-1-methyl-1-propan-2-ylthiourea is CC(C)N(C)C(=S)NC1CCCC1.
What is the InChIKey of 3-cyclopentyl-1-methyl-1-propan-2-ylthiourea?
The InChIKey is NQPYOJDPONRUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-8(2)12(3)10(13)11-9-6-4-5-7-9/h8-9H,4-7H2,1-3H3,(H,11,13).
What are the key properties of 3-cyclopentyl-1-methyl-1-propan-2-ylthiourea?
3-cyclopentyl-1-methyl-1-propan-2-ylthiourea has a molecular weight of 200.35 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-methyl-1-propan-2-ylthiourea is sourced from PubChem (CID 116507156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).