7-(cyclohexylmethyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide

C17H31N3O3S — CID 45216818

IUPAC7-(cyclohexylmethyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC2(CCCN(CC3CCCCC3)C2=O)C1
InChIInChI=1S/C17H31N3O3S/c1-18(2)24(22,23)20-12-10-17(14-20)9-6-11-19(16(17)21)13-15-7-4-3-5-8-15/h15H,3-14H2,1-2H3
InChIKeyBMZKOHRCXWISBL-UHFFFAOYSA-N
MW357.52 g/mol
LogP1.69
Rot. Bonds4

About 7-(cyclohexylmethyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide

7-(cyclohexylmethyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide (PubChem CID 45216818) has the molecular formula C17H31N3O3S and a molecular weight of 357.52 g/mol. Its IUPAC name is 7-(cyclohexylmethyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide.

Molecular Properties

Compound Name7-(cyclohexylmethyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide
PubChem CID45216818
Molecular FormulaC17H31N3O3S
Molecular Weight357.52 g/mol
Exact Mass357.21
IUPAC Name7-(cyclohexylmethyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC2(CCCN(CC3CCCCC3)C2=O)C1
InChIInChI=1S/C17H31N3O3S/c1-18(2)24(22,23)20-12-10-17(14-20)9-6-11-19(16(17)21)13-15-7-4-3-5-8-15/h15H,3-14H2,1-2H3
InChIKeyBMZKOHRCXWISBL-UHFFFAOYSA-N
XLogP1.69
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexylmethyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide?
The IUPAC name of 7-(cyclohexylmethyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide (CID 45216818) is 7-(cyclohexylmethyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide.
What is the SMILES notation for 7-(cyclohexylmethyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide?
The canonical SMILES for 7-(cyclohexylmethyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide is CN(C)S(=O)(=O)N1CCC2(CCCN(CC3CCCCC3)C2=O)C1.
What is the InChIKey of 7-(cyclohexylmethyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide?
The InChIKey is BMZKOHRCXWISBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3S/c1-18(2)24(22,23)20-12-10-17(14-20)9-6-11-19(16(17)21)13-15-7-4-3-5-8-15/h15H,3-14H2,1-2H3.
What are the key properties of 7-(cyclohexylmethyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide?
7-(cyclohexylmethyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide has a molecular weight of 357.52 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylmethyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide is sourced from PubChem (CID 45216818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).