1-cyclopentyl-3-(3,3-dimethylbutan-2-yl)thiourea

C12H24N2S — CID 19676391

IUPAC1-cyclopentyl-3-(3,3-dimethylbutan-2-yl)thiourea
SMILESCC(NC(=S)NC1CCCC1)C(C)(C)C
InChIInChI=1S/C12H24N2S/c1-9(12(2,3)4)13-11(15)14-10-7-5-6-8-10/h9-10H,5-8H2,1-4H3,(H2,13,14,15)
InChIKeyKTTUHMIVROTWKW-UHFFFAOYSA-N
MW228.40 g/mol
LogP2.83
Rot. Bonds2

About 1-cyclopentyl-3-(3,3-dimethylbutan-2-yl)thiourea

1-cyclopentyl-3-(3,3-dimethylbutan-2-yl)thiourea (PubChem CID 19676391) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 1-cyclopentyl-3-(3,3-dimethylbutan-2-yl)thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-(3,3-dimethylbutan-2-yl)thiourea
PubChem CID19676391
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name1-cyclopentyl-3-(3,3-dimethylbutan-2-yl)thiourea
SMILESCC(NC(=S)NC1CCCC1)C(C)(C)C
InChIInChI=1S/C12H24N2S/c1-9(12(2,3)4)13-11(15)14-10-7-5-6-8-10/h9-10H,5-8H2,1-4H3,(H2,13,14,15)
InChIKeyKTTUHMIVROTWKW-UHFFFAOYSA-N
XLogP2.83
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 52.83
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-cyclohexyl-3-(1-cyclopropylethyl)thiourea
CID 115573118
1-[(2S)-butan-2-yl]-3-cyclohexylthiourea
CID 799366
2-(cyclopentylcarbamothioylamino)-3-methylbutanamide
CID 106344676
2-(cyclohexylcarbamothioylamino)propanoic acid
CID 4134493
(2R)-2-(cyclohexylcarbamothioylamino)propanoic acid
CID 40571788
1-cyclohexyl-3-pentan-2-ylthiourea
CID 19652331
1-cyclopentyl-3-(1-methoxy-3-methylbutan-2-yl)thiourea
CID 116509022
1-cyclohexyl-3-(4,4,4-trifluorobutan-2-yl)thiourea
CID 104859022
1-but-3-yn-2-yl-3-cyclobutylthiourea
CID 130742363
N-cyclopentyl-2-(3,3-dimethylbutan-2-ylamino)propanamide
CID 113457776
1-(4-methylcycloheptyl)-3-propan-2-ylthiourea
CID 102794706
N-cyclopropyl-2-(cyclopropylcarbamothioylamino)propanamide
CID 116509918

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(3,3-dimethylbutan-2-yl)thiourea?
The IUPAC name of 1-cyclopentyl-3-(3,3-dimethylbutan-2-yl)thiourea (CID 19676391) is 1-cyclopentyl-3-(3,3-dimethylbutan-2-yl)thiourea.
What is the SMILES notation for 1-cyclopentyl-3-(3,3-dimethylbutan-2-yl)thiourea?
The canonical SMILES for 1-cyclopentyl-3-(3,3-dimethylbutan-2-yl)thiourea is CC(NC(=S)NC1CCCC1)C(C)(C)C.
What is the InChIKey of 1-cyclopentyl-3-(3,3-dimethylbutan-2-yl)thiourea?
The InChIKey is KTTUHMIVROTWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-9(12(2,3)4)13-11(15)14-10-7-5-6-8-10/h9-10H,5-8H2,1-4H3,(H2,13,14,15).
What are the key properties of 1-cyclopentyl-3-(3,3-dimethylbutan-2-yl)thiourea?
1-cyclopentyl-3-(3,3-dimethylbutan-2-yl)thiourea has a molecular weight of 228.40 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(3,3-dimethylbutan-2-yl)thiourea is sourced from PubChem (CID 19676391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).