8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]octane-1-carboxamide

C13H18N2OS — CID 173148842

IUPAC8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]octane-1-carboxamide
SMILESNC(=O)C12CCCC(CC1)N2Cc1ccsc1
InChIInChI=1S/C13H18N2OS/c14-12(16)13-5-1-2-11(3-6-13)15(13)8-10-4-7-17-9-10/h4,7,9,11H,1-3,5-6,8H2,(H2,14,16)
InChIKeyYSESHGVICICGNM-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.12
Rot. Bonds3

About 8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]octane-1-carboxamide

8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]octane-1-carboxamide (PubChem CID 173148842) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]octane-1-carboxamide.

Molecular Properties

Compound Name8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]octane-1-carboxamide
PubChem CID173148842
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]octane-1-carboxamide
SMILESNC(=O)C12CCCC(CC1)N2Cc1ccsc1
InChIInChI=1S/C13H18N2OS/c14-12(16)13-5-1-2-11(3-6-13)15(13)8-10-4-7-17-9-10/h4,7,9,11H,1-3,5-6,8H2,(H2,14,16)
InChIKeyYSESHGVICICGNM-UHFFFAOYSA-N
XLogP2.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid
CID 67253384
2-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide
CID 60598427
1-(3-thiophen-3-ylpropylamino)cyclohexane-1-carboxamide
CID 75454010
(1S,5R)-8-[(2R)-3-[formyl(methyl)amino]-2-hydroxypropyl]-8-azabicyclo[3.2.1]octane-1-carboxamide
CID 173087262
3-chloro-8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]octane
CID 63764692
2-methyl-4-(thiophen-3-ylmethyl)morpholine-2-carboxamide
CID 110268312
ethyl N-methyl-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]carbamate
CID 75439221
1-(1-methylcyclobutyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]urea
CID 91659891
4-methyl-1-(thiophen-3-ylmethyl)piperidine-2-carboxylic acid
CID 114426332
1-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide
CID 61167976
(3S)-2-(thiophen-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 94882244
1-(thiophen-3-ylmethyl)azetidine
CID 131087701

Frequently Asked Questions

What is the IUPAC name of 8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]octane-1-carboxamide?
The IUPAC name of 8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]octane-1-carboxamide (CID 173148842) is 8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]octane-1-carboxamide.
What is the SMILES notation for 8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]octane-1-carboxamide?
The canonical SMILES for 8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]octane-1-carboxamide is NC(=O)C12CCCC(CC1)N2Cc1ccsc1.
What is the InChIKey of 8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]octane-1-carboxamide?
The InChIKey is YSESHGVICICGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c14-12(16)13-5-1-2-11(3-6-13)15(13)8-10-4-7-17-9-10/h4,7,9,11H,1-3,5-6,8H2,(H2,14,16).
What are the key properties of 8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]octane-1-carboxamide?
8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]octane-1-carboxamide has a molecular weight of 250.37 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]octane-1-carboxamide is sourced from PubChem (CID 173148842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).