(2S,5R)-5-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]oxolane-2-carboxamide

C16H25N3O4S — CID 120784610

IUPAC(2S,5R)-5-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]oxolane-2-carboxamide
SMILESCc1cc(S(=O)(=O)N(C)C)cc(NC(=O)[C@@H]2CC[C@H](CN)O2)c1C
InChIInChI=1S/C16H25N3O4S/c1-10-7-13(24(21,22)19(3)4)8-14(11(10)2)18-16(20)15-6-5-12(9-17)23-15/h7-8,12,15H,5-6,9,17H2,1-4H3,(H,18,20)/t12-,15+/m1/s1
InChIKeyPHVMQJDBBIJQPF-DOMZBBRYSA-N
MW355.46 g/mol
LogP1.00
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]oxolane-2-carboxamide (PubChem CID 120784610) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]oxolane-2-carboxamide
PubChem CID120784610
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]oxolane-2-carboxamide
SMILESCc1cc(S(=O)(=O)N(C)C)cc(NC(=O)[C@@H]2CC[C@H](CN)O2)c1C
InChIInChI=1S/C16H25N3O4S/c1-10-7-13(24(21,22)19(3)4)8-14(11(10)2)18-16(20)15-6-5-12(9-17)23-15/h7-8,12,15H,5-6,9,17H2,1-4H3,(H,18,20)/t12-,15+/m1/s1
InChIKeyPHVMQJDBBIJQPF-DOMZBBRYSA-N
XLogP1.00
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[5-(dimethylcarbamoyl)-2-methylphenyl]oxolane-2-carboxamide
CID 120787020
3-amino-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119692566
(2S,5R)-5-(aminomethyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]oxolane-2-carboxamide
CID 120784662
(2S,5R)-5-(aminomethyl)-N-(4-chloro-2-methylphenyl)oxolane-2-carboxamide;hydrochloride
CID 120782775
(2S,5R)-5-(aminomethyl)-N-(2,4,5-trifluorophenyl)oxolane-2-carboxamide;hydrochloride
CID 120786075
(2S,5R)-5-(aminomethyl)-N-[2-(dimethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 120787008
(2S,5R)-5-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]oxolane-2-carboxamide;dihydrochloride
CID 120798661
(2S,5R)-5-(aminomethyl)-N-[3-(tert-butylsulfamoyl)-2-methylphenyl]oxolane-2-carboxamide;hydrochloride
CID 120794541
(2S,5R)-N-(4-acetamido-2-chlorophenyl)-5-(aminomethyl)oxolane-2-carboxamide
CID 120790754
(2S,5R)-5-(aminomethyl)-N-(4-methylphenyl)oxolane-2-carboxamide
CID 120782708
(2S,5R)-5-(aminomethyl)-N-(2-hydroxyphenyl)oxolane-2-carboxamide
CID 120801756
2-cyclopent-2-en-1-yl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
CID 18200668

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]oxolane-2-carboxamide (CID 120784610) is (2S,5R)-5-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]oxolane-2-carboxamide is Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)[C@@H]2CC[C@H](CN)O2)c1C.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]oxolane-2-carboxamide?
The InChIKey is PHVMQJDBBIJQPF-DOMZBBRYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-10-7-13(24(21,22)19(3)4)8-14(11(10)2)18-16(20)15-6-5-12(9-17)23-15/h7-8,12,15H,5-6,9,17H2,1-4H3,(H,18,20)/t12-,15+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]oxolane-2-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]oxolane-2-carboxamide is sourced from PubChem (CID 120784610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).