1-cyclopentyl-3-(1-methoxy-3-methylbutan-2-yl)thiourea

C12H24N2OS — CID 116509022

IUPAC1-cyclopentyl-3-(1-methoxy-3-methylbutan-2-yl)thiourea
SMILESCOCC(NC(=S)NC1CCCC1)C(C)C
InChIInChI=1S/C12H24N2OS/c1-9(2)11(8-15-3)14-12(16)13-10-6-4-5-7-10/h9-11H,4-8H2,1-3H3,(H2,13,14,16)
InChIKeyNWEAENMMXZXXHJ-UHFFFAOYSA-N
MW244.40 g/mol
LogP2.06
Rot. Bonds5

About 1-cyclopentyl-3-(1-methoxy-3-methylbutan-2-yl)thiourea

1-cyclopentyl-3-(1-methoxy-3-methylbutan-2-yl)thiourea (PubChem CID 116509022) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 1-cyclopentyl-3-(1-methoxy-3-methylbutan-2-yl)thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-(1-methoxy-3-methylbutan-2-yl)thiourea
PubChem CID116509022
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name1-cyclopentyl-3-(1-methoxy-3-methylbutan-2-yl)thiourea
SMILESCOCC(NC(=S)NC1CCCC1)C(C)C
InChIInChI=1S/C12H24N2OS/c1-9(2)11(8-15-3)14-12(16)13-10-6-4-5-7-10/h9-11H,4-8H2,1-3H3,(H2,13,14,16)
InChIKeyNWEAENMMXZXXHJ-UHFFFAOYSA-N
XLogP2.06
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopentylamino)-N-(1-methoxy-3-methylbutan-2-yl)acetamide
CID 65049389
1-cyclopentyl-3-(3,3-dimethylbutan-2-yl)thiourea
CID 19676391
1-(1-methoxypropan-2-yl)-3-(thian-4-yl)thiourea
CID 115599640
1-[(2S)-butan-2-yl]-3-cyclohexylthiourea
CID 799366
1-(2-methoxyethyl)-3-(1-methoxy-3-methylbutan-2-yl)thiourea
CID 115647012
1-cyclohexyl-3-pentan-2-ylthiourea
CID 19652331
1-cyclohexyl-3-(1-cyclopropylethyl)thiourea
CID 115573118
methyl 2-(cyclohexylcarbamothioylamino)-4-methylpentanoate
CID 116507939
2-cyclopentyl-1-(1-methoxy-3-methylbutan-2-yl)guanidine
CID 65047958
1-(1-ethylpiperidin-3-yl)-3-(1-methoxypropan-2-yl)thiourea
CID 115590162
1-cyclopentyl-3-(2,3-dimethylbutyl)thiourea
CID 116508951
2-(cyclopentylcarbamothioylamino)-3-methylbutanamide
CID 106344676

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(1-methoxy-3-methylbutan-2-yl)thiourea?
The IUPAC name of 1-cyclopentyl-3-(1-methoxy-3-methylbutan-2-yl)thiourea (CID 116509022) is 1-cyclopentyl-3-(1-methoxy-3-methylbutan-2-yl)thiourea.
What is the SMILES notation for 1-cyclopentyl-3-(1-methoxy-3-methylbutan-2-yl)thiourea?
The canonical SMILES for 1-cyclopentyl-3-(1-methoxy-3-methylbutan-2-yl)thiourea is COCC(NC(=S)NC1CCCC1)C(C)C.
What is the InChIKey of 1-cyclopentyl-3-(1-methoxy-3-methylbutan-2-yl)thiourea?
The InChIKey is NWEAENMMXZXXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-9(2)11(8-15-3)14-12(16)13-10-6-4-5-7-10/h9-11H,4-8H2,1-3H3,(H2,13,14,16).
What are the key properties of 1-cyclopentyl-3-(1-methoxy-3-methylbutan-2-yl)thiourea?
1-cyclopentyl-3-(1-methoxy-3-methylbutan-2-yl)thiourea has a molecular weight of 244.40 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(1-methoxy-3-methylbutan-2-yl)thiourea is sourced from PubChem (CID 116509022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).