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

C15H23N5O4S2 — CID 20847904

IUPAC1-amino-1-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiourea
SMILESNC(=S)N(N)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1
InChIInChI=1S/C15H23N5O4S2/c16-15(25)20(17)14-11-12(26(21,22)19-5-9-24-10-6-19)1-2-13(14)18-3-7-23-8-4-18/h1-2,11H,3-10,17H2,(H2,16,25)
InChIKeyPNCILANWTFFZQP-UHFFFAOYSA-N
MW401.51 g/mol
LogP-0.53
Rot. Bonds4

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

1-amino-1-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiourea (PubChem CID 20847904) has the molecular formula C15H23N5O4S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 1-amino-1-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiourea.

Molecular Properties

Compound Name1-amino-1-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiourea
PubChem CID20847904
Molecular FormulaC15H23N5O4S2
Molecular Weight401.51 g/mol
Exact Mass401.12
IUPAC Name1-amino-1-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiourea
SMILESNC(=S)N(N)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1
InChIInChI=1S/C15H23N5O4S2/c16-15(25)20(17)14-11-12(26(21,22)19-5-9-24-10-6-19)1-2-13(14)18-3-7-23-8-4-18/h1-2,11H,3-10,17H2,(H2,16,25)
InChIKeyPNCILANWTFFZQP-UHFFFAOYSA-N
XLogP-0.53
TPSA114.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
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-methyl-4-morpholin-4-ylsulfonylbenzenecarbothioamide
CID 106919912
2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 2433198
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)cyclopentanecarboxamide
CID 3938418
N-methyl-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 17478604
2-methylsulfanyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 43077352
1-ethyl-3-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)thiourea
CID 4829989
N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 7551095
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 3966312
2-chloro-4-morpholin-4-ylsulfonylphenol
CID 3821405
N,N-diethyl-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 55335115
3-ethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 56502010
2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-N-phenylmethoxybenzamide
CID 55360382

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiourea?
The IUPAC name of 1-amino-1-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiourea (CID 20847904) is 1-amino-1-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiourea.
What is the SMILES notation for 1-amino-1-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiourea?
The canonical SMILES for 1-amino-1-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiourea is NC(=S)N(N)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1.
What is the InChIKey of 1-amino-1-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiourea?
The InChIKey is PNCILANWTFFZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O4S2/c16-15(25)20(17)14-11-12(26(21,22)19-5-9-24-10-6-19)1-2-13(14)18-3-7-23-8-4-18/h1-2,11H,3-10,17H2,(H2,16,25).
What are the key properties of 1-amino-1-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiourea?
1-amino-1-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiourea has a molecular weight of 401.51 g/mol, XLogP of -0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiourea is sourced from PubChem (CID 20847904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).