1-cyclohexyl-3-[2-(dimethylamino)ethyl]thiourea

C11H23N3S — CID 2207101

IUPAC1-cyclohexyl-3-[2-(dimethylamino)ethyl]thiourea
SMILESCN(C)CCNC(=S)NC1CCCCC1
InChIInChI=1S/C11H23N3S/c1-14(2)9-8-12-11(15)13-10-6-4-3-5-7-10/h10H,3-9H2,1-2H3,(H2,12,13,15)
InChIKeyHNLJENAFIMHRRE-UHFFFAOYSA-N
MW229.39 g/mol
LogP1.34
Rot. Bonds4

About 1-cyclohexyl-3-[2-(dimethylamino)ethyl]thiourea

1-cyclohexyl-3-[2-(dimethylamino)ethyl]thiourea (PubChem CID 2207101) has the molecular formula C11H23N3S and a molecular weight of 229.39 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(dimethylamino)ethyl]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(dimethylamino)ethyl]thiourea
PubChem CID2207101
Molecular FormulaC11H23N3S
Molecular Weight229.39 g/mol
Exact Mass229.16
IUPAC Name1-cyclohexyl-3-[2-(dimethylamino)ethyl]thiourea
SMILESCN(C)CCNC(=S)NC1CCCCC1
InChIInChI=1S/C11H23N3S/c1-14(2)9-8-12-11(15)13-10-6-4-3-5-7-10/h10H,3-9H2,1-2H3,(H2,12,13,15)
InChIKeyHNLJENAFIMHRRE-UHFFFAOYSA-N
XLogP1.34
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 51.34
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

Dicyclohexylthiourea
CID 727200
N-cyclohexylpiperidine-1-carbothioamide
CID 2725476
1-[2-(Dimethylamino)ethyl]-3-(4-methylcyclohexyl)thiourea
CID 2452878
3-Cyclohexyl-1,1-bis(2-methylpropyl)thiourea
CID 724237
1-Cyclohexyl-3-methylthiourea
CID 2725495
(Cyclohexylamino)(2-ethylpiperidyl)methane-1-thione
CID 4534164
(5R)-1,5-dibutylimidazolidine-2-thione
CID 16197238
Dimethylzyklohexylthioharnstoff
CID 708395
3-Cyclohexyl-1,1-diethylthiourea
CID 727203
5-Cyclohexyl-1,3,5-triazinane-2-thione
CID 775005
N-cyclohexylpyrrolidine-1-carbothioamide
CID 797677
1-Methyl-3-(2-piperidin-1-ylethyl)thiourea
CID 859062

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(dimethylamino)ethyl]thiourea?
The IUPAC name of 1-cyclohexyl-3-[2-(dimethylamino)ethyl]thiourea (CID 2207101) is 1-cyclohexyl-3-[2-(dimethylamino)ethyl]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(dimethylamino)ethyl]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[2-(dimethylamino)ethyl]thiourea is CN(C)CCNC(=S)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[2-(dimethylamino)ethyl]thiourea?
The InChIKey is HNLJENAFIMHRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3S/c1-14(2)9-8-12-11(15)13-10-6-4-3-5-7-10/h10H,3-9H2,1-2H3,(H2,12,13,15).
What are the key properties of 1-cyclohexyl-3-[2-(dimethylamino)ethyl]thiourea?
1-cyclohexyl-3-[2-(dimethylamino)ethyl]thiourea has a molecular weight of 229.39 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(dimethylamino)ethyl]thiourea is sourced from PubChem (CID 2207101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).