1-(tert-butylamino)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea

C15H24N4O3S2 — CID 2421720

IUPAC1-(tert-butylamino)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
SMILESCC(C)(C)NNC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H24N4O3S2/c1-15(2,3)18-17-14(23)16-12-4-6-13(7-5-12)24(20,21)19-8-10-22-11-9-19/h4-7,18H,8-11H2,1-3H3,(H2,16,17,23)
InChIKeyQSYFDIUVXGGGDZ-UHFFFAOYSA-N
MW372.52 g/mol
LogP1.30
Rot. Bonds4

About 1-(tert-butylamino)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea

1-(tert-butylamino)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea (PubChem CID 2421720) has the molecular formula C15H24N4O3S2 and a molecular weight of 372.52 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
PubChem CID2421720
Molecular FormulaC15H24N4O3S2
Molecular Weight372.52 g/mol
Exact Mass372.13
IUPAC Name1-(tert-butylamino)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
SMILESCC(C)(C)NNC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H24N4O3S2/c1-15(2,3)18-17-14(23)16-12-4-6-13(7-5-12)24(20,21)19-8-10-22-11-9-19/h4-7,18H,8-11H2,1-3H3,(H2,16,17,23)
InChIKeyQSYFDIUVXGGGDZ-UHFFFAOYSA-N
XLogP1.30
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 17376071
1-(4-methoxyphenyl)-3-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiourea
CID 1176488
1-(fluoren-9-ylideneamino)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 4030644
1-cyclohexyl-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 2210495
4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)piperazine-1-carbothioamide
CID 17271594
N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]cyclopentanecarboxamide
CID 2412835
1-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 136879316
1-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)thiourea
CID 2212017
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
1-[(4-methoxyphenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 17271569
1-(4-fluoro-2-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 53489000
1-(2-hydroxyethyl)-1-methyl-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 23993998

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea?
The IUPAC name of 1-(tert-butylamino)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea (CID 2421720) is 1-(tert-butylamino)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea.
What is the SMILES notation for 1-(tert-butylamino)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea?
The canonical SMILES for 1-(tert-butylamino)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea is CC(C)(C)NNC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 1-(tert-butylamino)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea?
The InChIKey is QSYFDIUVXGGGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S2/c1-15(2,3)18-17-14(23)16-12-4-6-13(7-5-12)24(20,21)19-8-10-22-11-9-19/h4-7,18H,8-11H2,1-3H3,(H2,16,17,23).
What are the key properties of 1-(tert-butylamino)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea?
1-(tert-butylamino)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea has a molecular weight of 372.52 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea is sourced from PubChem (CID 2421720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).