N-methyl-2-[2-oxo-9-(thiophene-3-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide

C16H21N3O3S — CID 134070826

IUPACN-methyl-2-[2-oxo-9-(thiophene-3-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide
SMILESCNC(=O)CN1C(=O)CCC12CCCN(C(=O)c1ccsc1)C2
InChIInChI=1S/C16H21N3O3S/c1-17-13(20)9-19-14(21)3-6-16(19)5-2-7-18(11-16)15(22)12-4-8-23-10-12/h4,8,10H,2-3,5-7,9,11H2,1H3,(H,17,20)
InChIKeySRFRYIYEVNLDHA-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.09
Rot. Bonds3

About N-methyl-2-[2-oxo-9-(thiophene-3-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide

N-methyl-2-[2-oxo-9-(thiophene-3-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide (PubChem CID 134070826) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-methyl-2-[2-oxo-9-(thiophene-3-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-oxo-9-(thiophene-3-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide
PubChem CID134070826
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN-methyl-2-[2-oxo-9-(thiophene-3-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide
SMILESCNC(=O)CN1C(=O)CCC12CCCN(C(=O)c1ccsc1)C2
InChIInChI=1S/C16H21N3O3S/c1-17-13(20)9-19-14(21)3-6-16(19)5-2-7-18(11-16)15(22)12-4-8-23-10-12/h4,8,10H,2-3,5-7,9,11H2,1H3,(H,17,20)
InChIKeySRFRYIYEVNLDHA-UHFFFAOYSA-N
XLogP1.09
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[2-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]acetamide
CID 97393811
(3-hydroxy-3-methylpiperidin-1-yl)-thiophen-3-ylmethanone
CID 115874944
(6S)-10-(2-hydroxyethyl)-1-methyl-4-(thiophene-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97127731
(5S)-9-(thiophene-3-carbonyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 129395464
[(4S)-4-hydroxy-4-(hydroxymethyl)azepan-1-yl]-thiophen-3-ylmethanone
CID 99972021
(5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(thiophene-3-carbonyl)-1,9-diazaspiro[4.5]decan-2-one
CID 97375583
2,8-diazaspiro[5.5]undecan-2-yl(thiophen-3-yl)methanone
CID 102849694
2-methyl-9-(thiophene-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 131680090
2-methyl-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
CID 118738840
(6S)-1-ethyl-8-(6-methylpyridine-3-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 97495441
8-(3-chlorobenzoyl)-1-ethyl-1,8-diazaspiro[5.5]undecan-2-one
CID 134072985
(5R)-2-methyl-3-oxo-N-propan-2-yl-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97360137

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-oxo-9-(thiophene-3-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide?
The IUPAC name of N-methyl-2-[2-oxo-9-(thiophene-3-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide (CID 134070826) is N-methyl-2-[2-oxo-9-(thiophene-3-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[2-oxo-9-(thiophene-3-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[2-oxo-9-(thiophene-3-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide is CNC(=O)CN1C(=O)CCC12CCCN(C(=O)c1ccsc1)C2.
What is the InChIKey of N-methyl-2-[2-oxo-9-(thiophene-3-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide?
The InChIKey is SRFRYIYEVNLDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-17-13(20)9-19-14(21)3-6-16(19)5-2-7-18(11-16)15(22)12-4-8-23-10-12/h4,8,10H,2-3,5-7,9,11H2,1H3,(H,17,20).
What are the key properties of N-methyl-2-[2-oxo-9-(thiophene-3-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide?
N-methyl-2-[2-oxo-9-(thiophene-3-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide has a molecular weight of 335.43 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-oxo-9-(thiophene-3-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide is sourced from PubChem (CID 134070826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).