1-amino-3-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiourea

C15H23N5O4S2 — CID 3838040

IUPAC1-amino-3-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiourea
SMILESNNC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1
InChIInChI=1S/C15H23N5O4S2/c16-18-15(25)17-13-11-12(26(21,22)20-5-9-24-10-6-20)1-2-14(13)19-3-7-23-8-4-19/h1-2,11H,3-10,16H2,(H2,17,18,25)
InChIKeyRVSZOTAYWUUWHG-UHFFFAOYSA-N
MW401.51 g/mol
LogP-0.30
Rot. Bonds4

About 1-amino-3-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiourea

1-amino-3-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiourea (PubChem CID 3838040) has the molecular formula C15H23N5O4S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 1-amino-3-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiourea.

Molecular Properties

Compound Name1-amino-3-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiourea
PubChem CID3838040
Molecular FormulaC15H23N5O4S2
Molecular Weight401.51 g/mol
Exact Mass401.12
IUPAC Name1-amino-3-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiourea
SMILESNNC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1
InChIInChI=1S/C15H23N5O4S2/c16-18-15(25)17-13-11-12(26(21,22)20-5-9-24-10-6-20)1-2-14(13)19-3-7-23-8-4-19/h1-2,11H,3-10,16H2,(H2,17,18,25)
InChIKeyRVSZOTAYWUUWHG-UHFFFAOYSA-N
XLogP-0.30
TPSA109.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(Morpholin-4-yl)-5-(piperidine-1-sulfonyl)aniline
CID 3870903
2-(Morpholin-4-yl)-5-(morpholine-4-sulfonyl)aniline
CID 3585374
5-(Morpholine-4-sulfonyl)-2-(piperidin-1-yl)aniline
CID 4461797
1-[2-(Diethylamino)-5-morpholin-4-ylsulfonylphenyl]-3-phenylurea
CID 5075583
1-(Tert-butylamino)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 2421720
1-(2-Methoxyethyl)-3-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)thiourea
CID 4639272
1-[(E)-5-methylhexan-2-ylideneamino]-3-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiourea
CID 9651191
N-[4-(aminosulfonyl)phenyl]-2-(4-methylpiperazin-1-yl)hydrazinecarbothioamide
CID 44389836
N-[4-(aminosulfonyl)phenyl]-2-(2-morpholin-4-ylethyl)hydrazinecarbothioamide
CID 44389881
1-(2-Morpholin-4-ylethyl)-3-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]thiourea
CID 44401689
4-{4-[1,4-Oxazinan-4-ylamino(thioxo)methylamino]phenylsulfonamido}-1-benzenesulfonamide
CID 44401769
N-(4-(4-Morpholinylsulfonyl)phenyl)hydrazinecarbothioamide
CID 2384543

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiourea?
The IUPAC name of 1-amino-3-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiourea (CID 3838040) is 1-amino-3-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiourea.
What is the SMILES notation for 1-amino-3-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiourea?
The canonical SMILES for 1-amino-3-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiourea is NNC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1.
What is the InChIKey of 1-amino-3-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiourea?
The InChIKey is RVSZOTAYWUUWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O4S2/c16-18-15(25)17-13-11-12(26(21,22)20-5-9-24-10-6-20)1-2-14(13)19-3-7-23-8-4-19/h1-2,11H,3-10,16H2,(H2,17,18,25).
What are the key properties of 1-amino-3-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiourea?
1-amino-3-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiourea has a molecular weight of 401.51 g/mol, XLogP of -0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiourea is sourced from PubChem (CID 3838040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).