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

C14H27N3O3S — CID 43598110

IUPACN-(1-azaspiro[5.5]undecan-4-yl)morpholine-4-sulfonamide
SMILESO=S(=O)(NC1CCNC2(CCCCC2)C1)N1CCOCC1
InChIInChI=1S/C14H27N3O3S/c18-21(19,17-8-10-20-11-9-17)16-13-4-7-15-14(12-13)5-2-1-3-6-14/h13,15-16H,1-12H2
InChIKeyCNUPEEYKYMWBRC-UHFFFAOYSA-N
MW317.46 g/mol
LogP0.61
Rot. Bonds3

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

N-(1-azaspiro[5.5]undecan-4-yl)morpholine-4-sulfonamide (PubChem CID 43598110) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is N-(1-azaspiro[5.5]undecan-4-yl)morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(1-azaspiro[5.5]undecan-4-yl)morpholine-4-sulfonamide
PubChem CID43598110
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC NameN-(1-azaspiro[5.5]undecan-4-yl)morpholine-4-sulfonamide
SMILESO=S(=O)(NC1CCNC2(CCCCC2)C1)N1CCOCC1
InChIInChI=1S/C14H27N3O3S/c18-21(19,17-8-10-20-11-9-17)16-13-4-7-15-14(12-13)5-2-1-3-6-14/h13,15-16H,1-12H2
InChIKeyCNUPEEYKYMWBRC-UHFFFAOYSA-N
XLogP0.61
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-azaspiro[5.5]undecan-4-yl)morpholine-4-sulfonamide?
The IUPAC name of N-(1-azaspiro[5.5]undecan-4-yl)morpholine-4-sulfonamide (CID 43598110) is N-(1-azaspiro[5.5]undecan-4-yl)morpholine-4-sulfonamide.
What is the SMILES notation for N-(1-azaspiro[5.5]undecan-4-yl)morpholine-4-sulfonamide?
The canonical SMILES for N-(1-azaspiro[5.5]undecan-4-yl)morpholine-4-sulfonamide is O=S(=O)(NC1CCNC2(CCCCC2)C1)N1CCOCC1.
What is the InChIKey of N-(1-azaspiro[5.5]undecan-4-yl)morpholine-4-sulfonamide?
The InChIKey is CNUPEEYKYMWBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S/c18-21(19,17-8-10-20-11-9-17)16-13-4-7-15-14(12-13)5-2-1-3-6-14/h13,15-16H,1-12H2.
What are the key properties of N-(1-azaspiro[5.5]undecan-4-yl)morpholine-4-sulfonamide?
N-(1-azaspiro[5.5]undecan-4-yl)morpholine-4-sulfonamide has a molecular weight of 317.46 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azaspiro[5.5]undecan-4-yl)morpholine-4-sulfonamide is sourced from PubChem (CID 43598110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).