N-[benzyl(methyl)sulfamoyl]-N-ethyl-1,1-dioxothiolan-3-amine

C14H22N2O4S2 — CID 70755777

IUPACN-[benzyl(methyl)sulfamoyl]-N-ethyl-1,1-dioxothiolan-3-amine
SMILESCCN(C1CCS(=O)(=O)C1)S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C14H22N2O4S2/c1-3-16(14-9-10-21(17,18)12-14)22(19,20)15(2)11-13-7-5-4-6-8-13/h4-8,14H,3,9-12H2,1-2H3
InChIKeyKPSHEMKQFJZFTO-UHFFFAOYSA-N
MW346.47 g/mol
LogP0.87
Rot. Bonds6

About N-[benzyl(methyl)sulfamoyl]-N-ethyl-1,1-dioxothiolan-3-amine

N-[benzyl(methyl)sulfamoyl]-N-ethyl-1,1-dioxothiolan-3-amine (PubChem CID 70755777) has the molecular formula C14H22N2O4S2 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[benzyl(methyl)sulfamoyl]-N-ethyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[benzyl(methyl)sulfamoyl]-N-ethyl-1,1-dioxothiolan-3-amine
PubChem CID70755777
Molecular FormulaC14H22N2O4S2
Molecular Weight346.47 g/mol
Exact Mass346.10
IUPAC NameN-[benzyl(methyl)sulfamoyl]-N-ethyl-1,1-dioxothiolan-3-amine
SMILESCCN(C1CCS(=O)(=O)C1)S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C14H22N2O4S2/c1-3-16(14-9-10-21(17,18)12-14)22(19,20)15(2)11-13-7-5-4-6-8-13/h4-8,14H,3,9-12H2,1-2H3
InChIKeyKPSHEMKQFJZFTO-UHFFFAOYSA-N
XLogP0.87
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-ethyl-1,1-dioxothiolane-3-sulfonamide
CID 18593878
N-benzyl-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-methylacetamide
CID 113152361
N-[benzyl(methyl)sulfamoyl]-N-ethylpiperidin-3-amine
CID 63636927
(E)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-phenylethenesulfonamide
CID 46604966
2-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzenesulfonamide
CID 51169210
(3R)-N-benzyl-N-butyl-1,1-dioxothiolan-3-amine
CID 129370820
1-benzyl-3-(1,1-dioxothiolan-3-yl)-1,3-diethylurea
CID 108988980
N-benzyl-N'-(1,1-dioxothiolan-3-yl)-N'-ethyl-N-methylpropanediamide
CID 108946063
(3S)-N-benzyl-N-[(4-methylphenyl)methyl]-1,1-dioxothiolan-3-amine
CID 129370823
2-[benzyl(methylsulfonyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 113150439
N-benzyl-N'-(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropanediamide
CID 108946053
N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-methylbenzamide
CID 40561453

Frequently Asked Questions

What is the IUPAC name of N-[benzyl(methyl)sulfamoyl]-N-ethyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[benzyl(methyl)sulfamoyl]-N-ethyl-1,1-dioxothiolan-3-amine (CID 70755777) is N-[benzyl(methyl)sulfamoyl]-N-ethyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[benzyl(methyl)sulfamoyl]-N-ethyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[benzyl(methyl)sulfamoyl]-N-ethyl-1,1-dioxothiolan-3-amine is CCN(C1CCS(=O)(=O)C1)S(=O)(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-[benzyl(methyl)sulfamoyl]-N-ethyl-1,1-dioxothiolan-3-amine?
The InChIKey is KPSHEMKQFJZFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S2/c1-3-16(14-9-10-21(17,18)12-14)22(19,20)15(2)11-13-7-5-4-6-8-13/h4-8,14H,3,9-12H2,1-2H3.
What are the key properties of N-[benzyl(methyl)sulfamoyl]-N-ethyl-1,1-dioxothiolan-3-amine?
N-[benzyl(methyl)sulfamoyl]-N-ethyl-1,1-dioxothiolan-3-amine has a molecular weight of 346.47 g/mol, XLogP of 0.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[benzyl(methyl)sulfamoyl]-N-ethyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 70755777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).