5-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)thiophene-3-carboxamide

C13H18N2O3S — CID 86785794

IUPAC5-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)thiophene-3-carboxamide
SMILESNC(=O)c1csc(CN2CCCC3(C2)OCCO3)c1
InChIInChI=1S/C13H18N2O3S/c14-12(16)10-6-11(19-8-10)7-15-3-1-2-13(9-15)17-4-5-18-13/h6,8H,1-5,7,9H2,(H2,14,16)
InChIKeyRJIBKIJLDDGYRY-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.19
Rot. Bonds3

About 5-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)thiophene-3-carboxamide

5-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)thiophene-3-carboxamide (PubChem CID 86785794) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 5-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)thiophene-3-carboxamide
PubChem CID86785794
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name5-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)thiophene-3-carboxamide
SMILESNC(=O)c1csc(CN2CCCC3(C2)OCCO3)c1
InChIInChI=1S/C13H18N2O3S/c14-12(16)10-6-11(19-8-10)7-15-3-1-2-13(9-15)17-4-5-18-13/h6,8H,1-5,7,9H2,(H2,14,16)
InChIKeyRJIBKIJLDDGYRY-UHFFFAOYSA-N
XLogP1.19
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,4-thiazepan-4-ylmethyl)thiophene-3-carboxamide
CID 75500670
5-[(4-methyl-4-phenylpiperidin-1-yl)methyl]thiophene-3-carboxamide
CID 136519631
9-[(3,5-difluorophenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane
CID 75500696
5-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]thiophene-3-carboxamide
CID 124725495
5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]thiophene-3-carboxamide;hydrochloride
CID 120909633
5-[(5R)-9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl]thiophene-3-carboxamide
CID 164631595
5-[(2-propan-2-ylpiperidin-1-yl)methyl]thiophene-3-carboxamide
CID 126769120
5-(aminomethyl)thiophene-3-carboxamide;hydrochloride
CID 163226135
5-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]thiophene-3-carboxamide
CID 120770280
5-[[(4-methyloxan-4-yl)amino]methyl]thiophene-3-carboxamide
CID 115758077
(5-bromothiophen-3-yl)-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone
CID 130914668
5-[[(1-methylcyclopropyl)amino]methyl]thiophene-3-carboxamide
CID 115735684

Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)thiophene-3-carboxamide?
The IUPAC name of 5-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)thiophene-3-carboxamide (CID 86785794) is 5-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)thiophene-3-carboxamide?
The canonical SMILES for 5-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)thiophene-3-carboxamide is NC(=O)c1csc(CN2CCCC3(C2)OCCO3)c1.
What is the InChIKey of 5-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)thiophene-3-carboxamide?
The InChIKey is RJIBKIJLDDGYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c14-12(16)10-6-11(19-8-10)7-15-3-1-2-13(9-15)17-4-5-18-13/h6,8H,1-5,7,9H2,(H2,14,16).
What are the key properties of 5-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)thiophene-3-carboxamide?
5-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)thiophene-3-carboxamide has a molecular weight of 282.36 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)thiophene-3-carboxamide is sourced from PubChem (CID 86785794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).