N-[4-[(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)sulfamoyl]phenyl]acetamide

C12H17N3O3S2 — CID 61120241

IUPACN-[4-[(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C(N)=S)cc1
InChIInChI=1S/C12H17N3O3S2/c1-8(16)14-9-4-6-10(7-5-9)20(17,18)15-12(2,3)11(13)19/h4-7,15H,1-3H3,(H2,13,19)(H,14,16)
InChIKeyAQKKGMNCFMPXAT-UHFFFAOYSA-N
MW315.42 g/mol
LogP0.99
Rot. Bonds5

About N-[4-[(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)sulfamoyl]phenyl]acetamide

N-[4-[(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)sulfamoyl]phenyl]acetamide (PubChem CID 61120241) has the molecular formula C12H17N3O3S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[4-[(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)sulfamoyl]phenyl]acetamide
PubChem CID61120241
Molecular FormulaC12H17N3O3S2
Molecular Weight315.42 g/mol
Exact Mass315.07
IUPAC NameN-[4-[(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C(N)=S)cc1
InChIInChI=1S/C12H17N3O3S2/c1-8(16)14-9-4-6-10(7-5-9)20(17,18)15-12(2,3)11(13)19/h4-7,15H,1-3H3,(H2,13,19)(H,14,16)
InChIKeyAQKKGMNCFMPXAT-UHFFFAOYSA-N
XLogP0.99
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(2-amino-2-sulfanylideneethyl)sulfamoyl]phenyl]acetamide
CID 61127681
N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
CID 71349024
N-[4-[(1-amino-3-methylpentan-3-yl)sulfamoyl]phenyl]acetamide
CID 106165353
N-(4-carbamoylsulfonylphenyl)acetamide
CID 117038027
N-[4-[(1-amino-2-cyclopropylpropan-2-yl)sulfamoyl]phenyl]acetamide
CID 115307942
N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]propanamide
CID 3252934
N-[4-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 39086802
N-[4-[(4-sulfamoylanilino)sulfamoyl]phenyl]acetamide
CID 3595344
4-acetamidobenzene(18F)sulfonyl fluoride
CID 72736472
4-acetamidobenzenesulfonic acid chloride
CID 53446633
N-[4-[[4-(propan-2-ylamino)phenyl]sulfamoyl]phenyl]acetamide
CID 112979916
CID 57349684
CID 57349684

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)sulfamoyl]phenyl]acetamide (CID 61120241) is N-[4-[(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C(N)=S)cc1.
What is the InChIKey of N-[4-[(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is AQKKGMNCFMPXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S2/c1-8(16)14-9-4-6-10(7-5-9)20(17,18)15-12(2,3)11(13)19/h4-7,15H,1-3H3,(H2,13,19)(H,14,16).
What are the key properties of N-[4-[(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)sulfamoyl]phenyl]acetamide?
N-[4-[(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 315.42 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 61120241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).