N-(1-azaspiro[5.5]undecan-4-yl)-2-methylpropane-2-sulfonamide

C14H28N2O2S — CID 63688997

IUPACN-(1-azaspiro[5.5]undecan-4-yl)-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1CCNC2(CCCCC2)C1
InChIInChI=1S/C14H28N2O2S/c1-13(2,3)19(17,18)16-12-7-10-15-14(11-12)8-5-4-6-9-14/h12,15-16H,4-11H2,1-3H3
InChIKeyWYNDVXCJBWUCPP-UHFFFAOYSA-N
MW288.46 g/mol
LogP2.16
Rot. Bonds2

About N-(1-azaspiro[5.5]undecan-4-yl)-2-methylpropane-2-sulfonamide

N-(1-azaspiro[5.5]undecan-4-yl)-2-methylpropane-2-sulfonamide (PubChem CID 63688997) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-(1-azaspiro[5.5]undecan-4-yl)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(1-azaspiro[5.5]undecan-4-yl)-2-methylpropane-2-sulfonamide
PubChem CID63688997
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC NameN-(1-azaspiro[5.5]undecan-4-yl)-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1CCNC2(CCCCC2)C1
InChIInChI=1S/C14H28N2O2S/c1-13(2,3)19(17,18)16-12-7-10-15-14(11-12)8-5-4-6-9-14/h12,15-16H,4-11H2,1-3H3
InChIKeyWYNDVXCJBWUCPP-UHFFFAOYSA-N
XLogP2.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-azaspiro[5.5]undecan-4-yl)-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(1-azaspiro[5.5]undecan-4-yl)-2-methylpropane-2-sulfonamide (CID 63688997) is N-(1-azaspiro[5.5]undecan-4-yl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(1-azaspiro[5.5]undecan-4-yl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(1-azaspiro[5.5]undecan-4-yl)-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)NC1CCNC2(CCCCC2)C1.
What is the InChIKey of N-(1-azaspiro[5.5]undecan-4-yl)-2-methylpropane-2-sulfonamide?
The InChIKey is WYNDVXCJBWUCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-13(2,3)19(17,18)16-12-7-10-15-14(11-12)8-5-4-6-9-14/h12,15-16H,4-11H2,1-3H3.
What are the key properties of N-(1-azaspiro[5.5]undecan-4-yl)-2-methylpropane-2-sulfonamide?
N-(1-azaspiro[5.5]undecan-4-yl)-2-methylpropane-2-sulfonamide has a molecular weight of 288.46 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azaspiro[5.5]undecan-4-yl)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 63688997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).