N-[4-[[[2-[dimethylsulfamoyl(methyl)amino]acetyl]amino]methyl]oxan-4-yl]-1,1-dioxothiazinane-6-carboxamide

C16H31N5O7S2 — CID 167770171

IUPACN-[4-[[[2-[dimethylsulfamoyl(methyl)amino]acetyl]amino]methyl]oxan-4-yl]-1,1-dioxothiazinane-6-carboxamide
SMILESCN(C)S(=O)(=O)N(C)CC(=O)NCC1(NC(=O)C2CCCNS2(=O)=O)CCOCC1
InChIInChI=1S/C16H31N5O7S2/c1-20(2)30(26,27)21(3)11-14(22)17-12-16(6-9-28-10-7-16)19-15(23)13-5-4-8-18-29(13,24)25/h13,18H,4-12H2,1-3H3,(H,17,22)(H,19,23)
InChIKeyLEKTWHKDLXOJDA-UHFFFAOYSA-N
MW469.59 g/mol
LogP-2.41
Rot. Bonds8

About N-[4-[[[2-[dimethylsulfamoyl(methyl)amino]acetyl]amino]methyl]oxan-4-yl]-1,1-dioxothiazinane-6-carboxamide

N-[4-[[[2-[dimethylsulfamoyl(methyl)amino]acetyl]amino]methyl]oxan-4-yl]-1,1-dioxothiazinane-6-carboxamide (PubChem CID 167770171) has the molecular formula C16H31N5O7S2 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-[4-[[[2-[dimethylsulfamoyl(methyl)amino]acetyl]amino]methyl]oxan-4-yl]-1,1-dioxothiazinane-6-carboxamide.

Molecular Properties

Compound NameN-[4-[[[2-[dimethylsulfamoyl(methyl)amino]acetyl]amino]methyl]oxan-4-yl]-1,1-dioxothiazinane-6-carboxamide
PubChem CID167770171
Molecular FormulaC16H31N5O7S2
Molecular Weight469.59 g/mol
Exact Mass469.17
IUPAC NameN-[4-[[[2-[dimethylsulfamoyl(methyl)amino]acetyl]amino]methyl]oxan-4-yl]-1,1-dioxothiazinane-6-carboxamide
SMILESCN(C)S(=O)(=O)N(C)CC(=O)NCC1(NC(=O)C2CCCNS2(=O)=O)CCOCC1
InChIInChI=1S/C16H31N5O7S2/c1-20(2)30(26,27)21(3)11-14(22)17-12-16(6-9-28-10-7-16)19-15(23)13-5-4-8-18-29(13,24)25/h13,18H,4-12H2,1-3H3,(H,17,22)(H,19,23)
InChIKeyLEKTWHKDLXOJDA-UHFFFAOYSA-N
XLogP-2.41
TPSA154.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 5-2.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-[dimethylsulfamoyl(methyl)amino]acetyl]amino]methyl]oxan-4-yl]-1,1-dioxothiazinane-6-carboxamide?
The IUPAC name of N-[4-[[[2-[dimethylsulfamoyl(methyl)amino]acetyl]amino]methyl]oxan-4-yl]-1,1-dioxothiazinane-6-carboxamide (CID 167770171) is N-[4-[[[2-[dimethylsulfamoyl(methyl)amino]acetyl]amino]methyl]oxan-4-yl]-1,1-dioxothiazinane-6-carboxamide.
What is the SMILES notation for N-[4-[[[2-[dimethylsulfamoyl(methyl)amino]acetyl]amino]methyl]oxan-4-yl]-1,1-dioxothiazinane-6-carboxamide?
The canonical SMILES for N-[4-[[[2-[dimethylsulfamoyl(methyl)amino]acetyl]amino]methyl]oxan-4-yl]-1,1-dioxothiazinane-6-carboxamide is CN(C)S(=O)(=O)N(C)CC(=O)NCC1(NC(=O)C2CCCNS2(=O)=O)CCOCC1.
What is the InChIKey of N-[4-[[[2-[dimethylsulfamoyl(methyl)amino]acetyl]amino]methyl]oxan-4-yl]-1,1-dioxothiazinane-6-carboxamide?
The InChIKey is LEKTWHKDLXOJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5O7S2/c1-20(2)30(26,27)21(3)11-14(22)17-12-16(6-9-28-10-7-16)19-15(23)13-5-4-8-18-29(13,24)25/h13,18H,4-12H2,1-3H3,(H,17,22)(H,19,23).
What are the key properties of N-[4-[[[2-[dimethylsulfamoyl(methyl)amino]acetyl]amino]methyl]oxan-4-yl]-1,1-dioxothiazinane-6-carboxamide?
N-[4-[[[2-[dimethylsulfamoyl(methyl)amino]acetyl]amino]methyl]oxan-4-yl]-1,1-dioxothiazinane-6-carboxamide has a molecular weight of 469.59 g/mol, XLogP of -2.41, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-[dimethylsulfamoyl(methyl)amino]acetyl]amino]methyl]oxan-4-yl]-1,1-dioxothiazinane-6-carboxamide is sourced from PubChem (CID 167770171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).