N-methyl-2-[2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide

C18H29N3O2S — CID 131643062

IUPACN-methyl-2-[2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide
SMILESCNC(=O)CN1CCOCC2(CCCN(Cc3ccc(C)s3)C2)C1
InChIInChI=1S/C18H29N3O2S/c1-15-4-5-16(24-15)10-20-7-3-6-18(12-20)13-21(8-9-23-14-18)11-17(22)19-2/h4-5H,3,6-14H2,1-2H3,(H,19,22)
InChIKeyPAOGKOIQZDVXLV-UHFFFAOYSA-N
MW351.52 g/mol
LogP1.72
Rot. Bonds4

About N-methyl-2-[2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide

N-methyl-2-[2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide (PubChem CID 131643062) has the molecular formula C18H29N3O2S and a molecular weight of 351.52 g/mol. Its IUPAC name is N-methyl-2-[2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide
PubChem CID131643062
Molecular FormulaC18H29N3O2S
Molecular Weight351.52 g/mol
Exact Mass351.20
IUPAC NameN-methyl-2-[2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide
SMILESCNC(=O)CN1CCOCC2(CCCN(Cc3ccc(C)s3)C2)C1
InChIInChI=1S/C18H29N3O2S/c1-15-4-5-16(24-15)10-20-7-3-6-18(12-20)13-21(8-9-23-14-18)11-17(22)19-2/h4-5H,3,6-14H2,1-2H3,(H,19,22)
InChIKeyPAOGKOIQZDVXLV-UHFFFAOYSA-N
XLogP1.72
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide
CID 131656424
2-[2-[(4-methoxyphenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide
CID 131646910
2-[(6S)-2-acetyl-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide
CID 97397965
2-[(5-methylthiophen-2-yl)methyl]-11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 118746048
N-methyl-2-[2-(2-phenylethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide;bis(2,2,2-trifluoroacetic acid)
CID 118745931
1-[(6R)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
CID 97372389
(2R,5R)-7-[(5-methylthiophen-2-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecane
CID 97375481
10-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 131658072
2-[(6S)-11-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]acetic acid
CID 97495025
(3R)-1-[(5-methylthiophen-2-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid
CID 97141674
2-[4-[(5-methylthiophen-2-yl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 65062127
(6S)-4-[(5-methylthiophen-2-yl)methyl]-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97495057

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide?
The IUPAC name of N-methyl-2-[2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide (CID 131643062) is N-methyl-2-[2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide.
What is the SMILES notation for N-methyl-2-[2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide?
The canonical SMILES for N-methyl-2-[2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide is CNC(=O)CN1CCOCC2(CCCN(Cc3ccc(C)s3)C2)C1.
What is the InChIKey of N-methyl-2-[2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide?
The InChIKey is PAOGKOIQZDVXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2S/c1-15-4-5-16(24-15)10-20-7-3-6-18(12-20)13-21(8-9-23-14-18)11-17(22)19-2/h4-5H,3,6-14H2,1-2H3,(H,19,22).
What are the key properties of N-methyl-2-[2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide?
N-methyl-2-[2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide has a molecular weight of 351.52 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]acetamide is sourced from PubChem (CID 131643062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).