(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-thiophen-3-ylmethanone

C14H20N2OS — CID 129269412

IUPAC(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-thiophen-3-ylmethanone
SMILESCC(C)N1CC2CCC(C1)N2C(=O)c1ccsc1
InChIInChI=1S/C14H20N2OS/c1-10(2)15-7-12-3-4-13(8-15)16(12)14(17)11-5-6-18-9-11/h5-6,9-10,12-13H,3-4,7-8H2,1-2H3
InChIKeyOFMGJYHHWVKDAE-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.45
Rot. Bonds2

About (3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-thiophen-3-ylmethanone

(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-thiophen-3-ylmethanone (PubChem CID 129269412) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is (3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-thiophen-3-ylmethanone
PubChem CID129269412
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-thiophen-3-ylmethanone
SMILESCC(C)N1CC2CCC(C1)N2C(=O)c1ccsc1
InChIInChI=1S/C14H20N2OS/c1-10(2)15-7-12-3-4-13(8-15)16(12)14(17)11-5-6-18-9-11/h5-6,9-10,12-13H,3-4,7-8H2,1-2H3
InChIKeyOFMGJYHHWVKDAE-UHFFFAOYSA-N
XLogP2.45
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-thiophen-3-ylmethanone with MolForge

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Related Compounds

N-[[1-(thiophene-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 43073336
(3-((Dimethylamino)methyl)-1,4-thiazepan-4-yl)(thiophen-3-yl)methanone
CID 71801733
1-[(2S,3aR,7aS)-2-[(dimethylamino)methyl]-5-(thiophene-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-1-yl]ethanone
CID 97460088
[(2S,3aR,7aS)-1-methyl-2-(pyrrolidin-1-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-thiophen-3-ylmethanone
CID 97460106
(1-Ethyl-1,8-diazaspiro[4.5]decan-8-yl)-thiophen-3-ylmethanone
CID 97493554
N-methyl-2-[8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide
CID 97493601
[(2S,4S)-4-fluoro-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 110875949
2-Methyl-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
CID 118738840
2-Ethyl-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
CID 118738841
(1-Ethyl-1,7-diazaspiro[3.4]octan-7-yl)-thiophen-3-ylmethanone
CID 118742675
((1R,5S)-3-(methylthio)-8-azabicyclo[3.2.1]octan-8-yl)(thiophen-3-yl)methanone
CID 86264443
1-[1-(Thiophen-3-ylmethyl)piperidin-4-yl]azepan-2-one
CID 134795587

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-thiophen-3-ylmethanone?
The IUPAC name of (3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-thiophen-3-ylmethanone (CID 129269412) is (3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-thiophen-3-ylmethanone.
What is the SMILES notation for (3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-thiophen-3-ylmethanone?
The canonical SMILES for (3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-thiophen-3-ylmethanone is CC(C)N1CC2CCC(C1)N2C(=O)c1ccsc1.
What is the InChIKey of (3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-thiophen-3-ylmethanone?
The InChIKey is OFMGJYHHWVKDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-10(2)15-7-12-3-4-13(8-15)16(12)14(17)11-5-6-18-9-11/h5-6,9-10,12-13H,3-4,7-8H2,1-2H3.
What are the key properties of (3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-thiophen-3-ylmethanone?
(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-thiophen-3-ylmethanone has a molecular weight of 264.39 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-thiophen-3-ylmethanone is sourced from PubChem (CID 129269412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).