9-(dimethylsulfamoyl)-N,N,3-trimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide

C17H31N5O4S — CID 134074518

IUPAC9-(dimethylsulfamoyl)-N,N,3-trimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide
SMILESCN(C)C(=O)N1CC2(CCN(S(=O)(=O)N(C)C)CC2)C2(CCN(C)C2=O)C1
InChIInChI=1S/C17H31N5O4S/c1-18(2)15(24)21-12-16(17(13-21)8-9-20(5)14(17)23)6-10-22(11-7-16)27(25,26)19(3)4/h6-13H2,1-5H3
InChIKeyNTWSEFIKWWGJEJ-UHFFFAOYSA-N
MW401.53 g/mol
LogP-0.28
Rot. Bonds2

About 9-(dimethylsulfamoyl)-N,N,3-trimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide

9-(dimethylsulfamoyl)-N,N,3-trimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide (PubChem CID 134074518) has the molecular formula C17H31N5O4S and a molecular weight of 401.53 g/mol. Its IUPAC name is 9-(dimethylsulfamoyl)-N,N,3-trimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide.

Molecular Properties

Compound Name9-(dimethylsulfamoyl)-N,N,3-trimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide
PubChem CID134074518
Molecular FormulaC17H31N5O4S
Molecular Weight401.53 g/mol
Exact Mass401.21
IUPAC Name9-(dimethylsulfamoyl)-N,N,3-trimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide
SMILESCN(C)C(=O)N1CC2(CCN(S(=O)(=O)N(C)C)CC2)C2(CCN(C)C2=O)C1
InChIInChI=1S/C17H31N5O4S/c1-18(2)15(24)21-12-16(17(13-21)8-9-20(5)14(17)23)6-10-22(11-7-16)27(25,26)19(3)4/h6-13H2,1-5H3
InChIKeyNTWSEFIKWWGJEJ-UHFFFAOYSA-N
XLogP-0.28
TPSA84.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(dimethylsulfamoyl)-N,N,3-trimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide?
The IUPAC name of 9-(dimethylsulfamoyl)-N,N,3-trimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide (CID 134074518) is 9-(dimethylsulfamoyl)-N,N,3-trimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide.
What is the SMILES notation for 9-(dimethylsulfamoyl)-N,N,3-trimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide?
The canonical SMILES for 9-(dimethylsulfamoyl)-N,N,3-trimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide is CN(C)C(=O)N1CC2(CCN(S(=O)(=O)N(C)C)CC2)C2(CCN(C)C2=O)C1.
What is the InChIKey of 9-(dimethylsulfamoyl)-N,N,3-trimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide?
The InChIKey is NTWSEFIKWWGJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O4S/c1-18(2)15(24)21-12-16(17(13-21)8-9-20(5)14(17)23)6-10-22(11-7-16)27(25,26)19(3)4/h6-13H2,1-5H3.
What are the key properties of 9-(dimethylsulfamoyl)-N,N,3-trimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide?
9-(dimethylsulfamoyl)-N,N,3-trimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide has a molecular weight of 401.53 g/mol, XLogP of -0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(dimethylsulfamoyl)-N,N,3-trimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide is sourced from PubChem (CID 134074518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).