1-(4-tert-butylcyclohexyl)-3-prop-2-enylthiourea

C14H26N2S — CID 17278927

IUPAC1-(4-tert-butylcyclohexyl)-3-prop-2-enylthiourea
SMILESC=CCNC(=S)NC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H26N2S/c1-5-10-15-13(17)16-12-8-6-11(7-9-12)14(2,3)4/h5,11-12H,1,6-10H2,2-4H3,(H2,15,16,17)
InChIKeyOMOWXVQBBDDFTI-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.24
Rot. Bonds3

About 1-(4-tert-butylcyclohexyl)-3-prop-2-enylthiourea

1-(4-tert-butylcyclohexyl)-3-prop-2-enylthiourea (PubChem CID 17278927) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-3-prop-2-enylthiourea.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-3-prop-2-enylthiourea
PubChem CID17278927
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name1-(4-tert-butylcyclohexyl)-3-prop-2-enylthiourea
SMILESC=CCNC(=S)NC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H26N2S/c1-5-10-15-13(17)16-12-8-6-11(7-9-12)14(2,3)4/h5,11-12H,1,6-10H2,2-4H3,(H2,15,16,17)
InChIKeyOMOWXVQBBDDFTI-UHFFFAOYSA-N
XLogP3.24
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Ethyl-3-(4-propan-2-ylcyclohexyl)thiourea
CID 58689112
1-(2-Ethyl-6-methylcyclohexyl)-3-(2-methylprop-2-enyl)thiourea
CID 141539816
1-(2,6-Dimethylcyclohexyl)-3-prop-2-enylthiourea
CID 141539900
[(Cyclohexylmethyl)amino](prop-2-enylamino)methane-1-thione
CID 4372536
1-Prop-2-enyl-3-[4-[[4-(prop-2-enylcarbamothioylamino)cyclohexyl]methyl]cyclohexyl]thiourea
CID 5127914
1-[(1S)-1-(1-adamantyl)ethyl]-3-prop-2-enylthiourea
CID 8617982
1-[(1R)-1-(1-adamantyl)ethyl]-3-prop-2-enylthiourea
CID 8617985
1-Methyl-3-[4-(2-methylbutan-2-yl)cyclohexyl]thiourea
CID 9284384
1-[1-(1-Adamantyl)ethyl]-3-prop-2-enylthiourea
CID 19651619
1-(6-Methylheptan-2-yl)-3-prop-2-enylthiourea
CID 19652429
1-(2-Methylcyclohexyl)-3-prop-2-enylthiourea
CID 19652591
1-Prop-2-enyl-3-(3,3,5-trimethylcyclohexyl)thiourea
CID 19652670

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-3-prop-2-enylthiourea?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-3-prop-2-enylthiourea (CID 17278927) is 1-(4-tert-butylcyclohexyl)-3-prop-2-enylthiourea.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-3-prop-2-enylthiourea?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-3-prop-2-enylthiourea is C=CCNC(=S)NC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-3-prop-2-enylthiourea?
The InChIKey is OMOWXVQBBDDFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-5-10-15-13(17)16-12-8-6-11(7-9-12)14(2,3)4/h5,11-12H,1,6-10H2,2-4H3,(H2,15,16,17).
What are the key properties of 1-(4-tert-butylcyclohexyl)-3-prop-2-enylthiourea?
1-(4-tert-butylcyclohexyl)-3-prop-2-enylthiourea has a molecular weight of 254.44 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-3-prop-2-enylthiourea is sourced from PubChem (CID 17278927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).