1-tert-butyl-3-(2-morpholin-4-ylethyl)thiourea

C11H23N3OS — CID 43384725

IUPAC1-tert-butyl-3-(2-morpholin-4-ylethyl)thiourea
SMILESCC(C)(C)NC(=S)NCCN1CCOCC1
InChIInChI=1S/C11H23N3OS/c1-11(2,3)13-10(16)12-4-5-14-6-8-15-9-7-14/h4-9H2,1-3H3,(H2,12,13,16)
InChIKeyUFSFPRSMPJCKNE-UHFFFAOYSA-N
MW245.39 g/mol
LogP0.58
Rot. Bonds3

About 1-tert-butyl-3-(2-morpholin-4-ylethyl)thiourea

1-tert-butyl-3-(2-morpholin-4-ylethyl)thiourea (PubChem CID 43384725) has the molecular formula C11H23N3OS and a molecular weight of 245.39 g/mol. Its IUPAC name is 1-tert-butyl-3-(2-morpholin-4-ylethyl)thiourea.

Molecular Properties

Compound Name1-tert-butyl-3-(2-morpholin-4-ylethyl)thiourea
PubChem CID43384725
Molecular FormulaC11H23N3OS
Molecular Weight245.39 g/mol
Exact Mass245.16
IUPAC Name1-tert-butyl-3-(2-morpholin-4-ylethyl)thiourea
SMILESCC(C)(C)NC(=S)NCCN1CCOCC1
InChIInChI=1S/C11H23N3OS/c1-11(2,3)13-10(16)12-4-5-14-6-8-15-9-7-14/h4-9H2,1-3H3,(H2,12,13,16)
InChIKeyUFSFPRSMPJCKNE-UHFFFAOYSA-N
XLogP0.58
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-morpholin-4-ylethyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea
CID 2974218
1-tert-butyl-3-[3-[4-[3-(tert-butylcarbamothioylamino)propyl]piperazin-1-yl]propyl]thiourea
CID 102045402
N-(2-morpholin-4-ylethyl)carbamodithioate
CID 91929836
1-(3-methylbutyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea
CID 8789670
N'-(1-hydroxy-2-methylpropan-2-yl)-N-(2-morpholin-4-ylethyl)oxamide
CID 108517619
4-N-tert-butyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045886
1-(2-piperidin-1-ylethyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea
CID 3401312
(E)-N-(2-morpholin-4-ylethyl)but-2-en-2-amine
CID 143222411
tert-butyl N-[2-(3-morpholin-4-ylpropylcarbamothioylamino)ethyl]carbamate
CID 84550530
(2R)-2-amino-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide
CID 83300699
N-tert-butyl-2-[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide;hydroiodide
CID 111187528
(2S)-2,3-dichloro-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 7375443

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(2-morpholin-4-ylethyl)thiourea?
The IUPAC name of 1-tert-butyl-3-(2-morpholin-4-ylethyl)thiourea (CID 43384725) is 1-tert-butyl-3-(2-morpholin-4-ylethyl)thiourea.
What is the SMILES notation for 1-tert-butyl-3-(2-morpholin-4-ylethyl)thiourea?
The canonical SMILES for 1-tert-butyl-3-(2-morpholin-4-ylethyl)thiourea is CC(C)(C)NC(=S)NCCN1CCOCC1.
What is the InChIKey of 1-tert-butyl-3-(2-morpholin-4-ylethyl)thiourea?
The InChIKey is UFSFPRSMPJCKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3OS/c1-11(2,3)13-10(16)12-4-5-14-6-8-15-9-7-14/h4-9H2,1-3H3,(H2,12,13,16).
What are the key properties of 1-tert-butyl-3-(2-morpholin-4-ylethyl)thiourea?
1-tert-butyl-3-(2-morpholin-4-ylethyl)thiourea has a molecular weight of 245.39 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(2-morpholin-4-ylethyl)thiourea is sourced from PubChem (CID 43384725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).