N-[[2-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]methyl]-8-methyl-1,8-diazaspiro[4.5]decane-1-carboxamide

C20H32N4O4S — CID 138997266

IUPACN-[[2-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]methyl]-8-methyl-1,8-diazaspiro[4.5]decane-1-carboxamide
SMILESCN1CCC2(CCCN2C(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)CC1
InChIInChI=1S/C20H32N4O4S/c1-22-12-9-20(10-13-22)8-5-11-24(20)19(26)21-16-17-6-3-4-7-18(17)29(27,28)23(2)14-15-25/h3-4,6-7,25H,5,8-16H2,1-2H3,(H,21,26)
InChIKeySINSJIFFFYBGNS-UHFFFAOYSA-N
MW424.57 g/mol
LogP1.07
Rot. Bonds6

About N-[[2-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]methyl]-8-methyl-1,8-diazaspiro[4.5]decane-1-carboxamide

N-[[2-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]methyl]-8-methyl-1,8-diazaspiro[4.5]decane-1-carboxamide (PubChem CID 138997266) has the molecular formula C20H32N4O4S and a molecular weight of 424.57 g/mol. Its IUPAC name is N-[[2-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]methyl]-8-methyl-1,8-diazaspiro[4.5]decane-1-carboxamide.

Molecular Properties

Compound NameN-[[2-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]methyl]-8-methyl-1,8-diazaspiro[4.5]decane-1-carboxamide
PubChem CID138997266
Molecular FormulaC20H32N4O4S
Molecular Weight424.57 g/mol
Exact Mass424.21
IUPAC NameN-[[2-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]methyl]-8-methyl-1,8-diazaspiro[4.5]decane-1-carboxamide
SMILESCN1CCC2(CCCN2C(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)CC1
InChIInChI=1S/C20H32N4O4S/c1-22-12-9-20(10-13-22)8-5-11-24(20)19(26)21-16-17-6-3-4-7-18(17)29(27,28)23(2)14-15-25/h3-4,6-7,25H,5,8-16H2,1-2H3,(H,21,26)
InChIKeySINSJIFFFYBGNS-UHFFFAOYSA-N
XLogP1.07
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]methyl]-8-methyl-1,8-diazaspiro[4.5]decane-1-carboxamide?
The IUPAC name of N-[[2-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]methyl]-8-methyl-1,8-diazaspiro[4.5]decane-1-carboxamide (CID 138997266) is N-[[2-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]methyl]-8-methyl-1,8-diazaspiro[4.5]decane-1-carboxamide.
What is the SMILES notation for N-[[2-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]methyl]-8-methyl-1,8-diazaspiro[4.5]decane-1-carboxamide?
The canonical SMILES for N-[[2-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]methyl]-8-methyl-1,8-diazaspiro[4.5]decane-1-carboxamide is CN1CCC2(CCCN2C(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)CC1.
What is the InChIKey of N-[[2-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]methyl]-8-methyl-1,8-diazaspiro[4.5]decane-1-carboxamide?
The InChIKey is SINSJIFFFYBGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O4S/c1-22-12-9-20(10-13-22)8-5-11-24(20)19(26)21-16-17-6-3-4-7-18(17)29(27,28)23(2)14-15-25/h3-4,6-7,25H,5,8-16H2,1-2H3,(H,21,26).
What are the key properties of N-[[2-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]methyl]-8-methyl-1,8-diazaspiro[4.5]decane-1-carboxamide?
N-[[2-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]methyl]-8-methyl-1,8-diazaspiro[4.5]decane-1-carboxamide has a molecular weight of 424.57 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]methyl]-8-methyl-1,8-diazaspiro[4.5]decane-1-carboxamide is sourced from PubChem (CID 138997266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).