N-(1-azaspiro[5.5]undecan-4-yl)-2-(thian-4-yl)acetamide

C17H30N2OS — CID 83136775

IUPACN-(1-azaspiro[5.5]undecan-4-yl)-2-(thian-4-yl)acetamide
SMILESO=C(CC1CCSCC1)NC1CCNC2(CCCCC2)C1
InChIInChI=1S/C17H30N2OS/c20-16(12-14-5-10-21-11-6-14)19-15-4-9-18-17(13-15)7-2-1-3-8-17/h14-15,18H,1-13H2,(H,19,20)
InChIKeyKGMJODWKAOPSQO-UHFFFAOYSA-N
MW310.51 g/mol
LogP3.09
Rot. Bonds3

About N-(1-azaspiro[5.5]undecan-4-yl)-2-(thian-4-yl)acetamide

N-(1-azaspiro[5.5]undecan-4-yl)-2-(thian-4-yl)acetamide (PubChem CID 83136775) has the molecular formula C17H30N2OS and a molecular weight of 310.51 g/mol. Its IUPAC name is N-(1-azaspiro[5.5]undecan-4-yl)-2-(thian-4-yl)acetamide.

Molecular Properties

Compound NameN-(1-azaspiro[5.5]undecan-4-yl)-2-(thian-4-yl)acetamide
PubChem CID83136775
Molecular FormulaC17H30N2OS
Molecular Weight310.51 g/mol
Exact Mass310.21
IUPAC NameN-(1-azaspiro[5.5]undecan-4-yl)-2-(thian-4-yl)acetamide
SMILESO=C(CC1CCSCC1)NC1CCNC2(CCCCC2)C1
InChIInChI=1S/C17H30N2OS/c20-16(12-14-5-10-21-11-6-14)19-15-4-9-18-17(13-15)7-2-1-3-8-17/h14-15,18H,1-13H2,(H,19,20)
InChIKeyKGMJODWKAOPSQO-UHFFFAOYSA-N
XLogP3.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-azaspiro[5.5]undecan-4-yl)-2-cyclobutylacetamide
CID 103164876
N-(1-azaspiro[5.5]undecan-4-yl)pent-4-enamide
CID 62677598
N-(1-azaspiro[5.5]undecan-4-yl)-3-methoxy-3-methylbutanamide
CID 103021353
N-(5-azaspiro[3.5]nonan-8-yl)-3-methylsulfonylpropanamide
CID 54896101
N-(5-azaspiro[3.5]nonan-8-yl)-2-thiophen-3-ylacetamide
CID 43595149
N-(2-methylpiperidin-4-yl)-2-(thian-4-yl)acetamide
CID 106995402
N-(1-azaspiro[5.5]undecan-4-yl)-2,2-dimethylbutanamide
CID 62678077
N-(1-azaspiro[5.5]undecan-4-yl)-2-propylpentanamide
CID 82989505
N-(5-azaspiro[3.5]nonan-8-yl)prop-2-enamide
CID 43595252
N-(5-azaspiro[3.5]nonan-8-yl)-2-(2-methoxyphenyl)acetamide
CID 43595335
N-(5-azaspiro[3.5]nonan-8-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310321
1-(5-azaspiro[3.5]nonan-8-yl)-3-benzylurea
CID 107653993

Frequently Asked Questions

What is the IUPAC name of N-(1-azaspiro[5.5]undecan-4-yl)-2-(thian-4-yl)acetamide?
The IUPAC name of N-(1-azaspiro[5.5]undecan-4-yl)-2-(thian-4-yl)acetamide (CID 83136775) is N-(1-azaspiro[5.5]undecan-4-yl)-2-(thian-4-yl)acetamide.
What is the SMILES notation for N-(1-azaspiro[5.5]undecan-4-yl)-2-(thian-4-yl)acetamide?
The canonical SMILES for N-(1-azaspiro[5.5]undecan-4-yl)-2-(thian-4-yl)acetamide is O=C(CC1CCSCC1)NC1CCNC2(CCCCC2)C1.
What is the InChIKey of N-(1-azaspiro[5.5]undecan-4-yl)-2-(thian-4-yl)acetamide?
The InChIKey is KGMJODWKAOPSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2OS/c20-16(12-14-5-10-21-11-6-14)19-15-4-9-18-17(13-15)7-2-1-3-8-17/h14-15,18H,1-13H2,(H,19,20).
What are the key properties of N-(1-azaspiro[5.5]undecan-4-yl)-2-(thian-4-yl)acetamide?
N-(1-azaspiro[5.5]undecan-4-yl)-2-(thian-4-yl)acetamide has a molecular weight of 310.51 g/mol, XLogP of 3.09, 3 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-(thian-4-yl)acetamide is sourced from PubChem (CID 83136775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).