3-[[[butyl(methyl)sulfamoyl]amino]methyl]-1,1-dioxothiolane

C10H22N2O4S2 — CID 47027402

IUPAC3-[[[butyl(methyl)sulfamoyl]amino]methyl]-1,1-dioxothiolane
SMILESCCCCN(C)S(=O)(=O)NCC1CCS(=O)(=O)C1
InChIInChI=1S/C10H22N2O4S2/c1-3-4-6-12(2)18(15,16)11-8-10-5-7-17(13,14)9-10/h10-11H,3-9H2,1-2H3
InChIKeyMNZRUACDWQYPRP-UHFFFAOYSA-N
MW298.43 g/mol
LogP-0.01
Rot. Bonds7

About 3-[[[butyl(methyl)sulfamoyl]amino]methyl]-1,1-dioxothiolane

3-[[[butyl(methyl)sulfamoyl]amino]methyl]-1,1-dioxothiolane (PubChem CID 47027402) has the molecular formula C10H22N2O4S2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-[[[butyl(methyl)sulfamoyl]amino]methyl]-1,1-dioxothiolane.

Molecular Properties

Compound Name3-[[[butyl(methyl)sulfamoyl]amino]methyl]-1,1-dioxothiolane
PubChem CID47027402
Molecular FormulaC10H22N2O4S2
Molecular Weight298.43 g/mol
Exact Mass298.10
IUPAC Name3-[[[butyl(methyl)sulfamoyl]amino]methyl]-1,1-dioxothiolane
SMILESCCCCN(C)S(=O)(=O)NCC1CCS(=O)(=O)C1
InChIInChI=1S/C10H22N2O4S2/c1-3-4-6-12(2)18(15,16)11-8-10-5-7-17(13,14)9-10/h10-11H,3-9H2,1-2H3
InChIKeyMNZRUACDWQYPRP-UHFFFAOYSA-N
XLogP-0.01
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[[butyl(methyl)sulfamoyl]amino]methyl]-1,1-dioxothiolane?
The IUPAC name of 3-[[[butyl(methyl)sulfamoyl]amino]methyl]-1,1-dioxothiolane (CID 47027402) is 3-[[[butyl(methyl)sulfamoyl]amino]methyl]-1,1-dioxothiolane.
What is the SMILES notation for 3-[[[butyl(methyl)sulfamoyl]amino]methyl]-1,1-dioxothiolane?
The canonical SMILES for 3-[[[butyl(methyl)sulfamoyl]amino]methyl]-1,1-dioxothiolane is CCCCN(C)S(=O)(=O)NCC1CCS(=O)(=O)C1.
What is the InChIKey of 3-[[[butyl(methyl)sulfamoyl]amino]methyl]-1,1-dioxothiolane?
The InChIKey is MNZRUACDWQYPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S2/c1-3-4-6-12(2)18(15,16)11-8-10-5-7-17(13,14)9-10/h10-11H,3-9H2,1-2H3.
What are the key properties of 3-[[[butyl(methyl)sulfamoyl]amino]methyl]-1,1-dioxothiolane?
3-[[[butyl(methyl)sulfamoyl]amino]methyl]-1,1-dioxothiolane has a molecular weight of 298.43 g/mol, XLogP of -0.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[butyl(methyl)sulfamoyl]amino]methyl]-1,1-dioxothiolane is sourced from PubChem (CID 47027402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).