N-(1,4-dioxaspiro[4.5]decan-8-yl)thiolane-2-carboxamide

C13H21NO3S — CID 79041077

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)thiolane-2-carboxamide
SMILESO=C(NC1CCC2(CC1)OCCO2)C1CCCS1
InChIInChI=1S/C13H21NO3S/c15-12(11-2-1-9-18-11)14-10-3-5-13(6-4-10)16-7-8-17-13/h10-11H,1-9H2,(H,14,15)
InChIKeyCNKQTWCPIUIXHP-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.68
Rot. Bonds2

About N-(1,4-dioxaspiro[4.5]decan-8-yl)thiolane-2-carboxamide

N-(1,4-dioxaspiro[4.5]decan-8-yl)thiolane-2-carboxamide (PubChem CID 79041077) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)thiolane-2-carboxamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)thiolane-2-carboxamide
PubChem CID79041077
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)thiolane-2-carboxamide
SMILESO=C(NC1CCC2(CC1)OCCO2)C1CCCS1
InChIInChI=1S/C13H21NO3S/c15-12(11-2-1-9-18-11)14-10-3-5-13(6-4-10)16-7-8-17-13/h10-11H,1-9H2,(H,14,15)
InChIKeyCNKQTWCPIUIXHP-UHFFFAOYSA-N
XLogP1.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,4-dioxaspiro[4.5]decan-8-yl)thiane-2-carboxamide
CID 80594119
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(thiolan-2-yl)methanone
CID 79040739
2-cyclopropyl-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
CID 112729642
1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-prop-2-enylurea
CID 130752274
N-cyclopentyl-2-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
CID 102852259
N-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-dimethylbutanamide
CID 112729599
3-(thiolane-2-carbonylamino)oxolane-3-carboxylic acid
CID 64890928
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-dimethylbutanamide
CID 78918296
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluorobutanamide
CID 164651542
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
CID 95157303
N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,3-thiazole-4-carboxamide
CID 78926012
1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-(1,4-dioxaspiro[4.5]decan-8-yl)urea
CID 102555049

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)thiolane-2-carboxamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)thiolane-2-carboxamide (CID 79041077) is N-(1,4-dioxaspiro[4.5]decan-8-yl)thiolane-2-carboxamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)thiolane-2-carboxamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)thiolane-2-carboxamide is O=C(NC1CCC2(CC1)OCCO2)C1CCCS1.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)thiolane-2-carboxamide?
The InChIKey is CNKQTWCPIUIXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c15-12(11-2-1-9-18-11)14-10-3-5-13(6-4-10)16-7-8-17-13/h10-11H,1-9H2,(H,14,15).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)thiolane-2-carboxamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)thiolane-2-carboxamide has a molecular weight of 271.38 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)thiolane-2-carboxamide is sourced from PubChem (CID 79041077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).