2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(thian-2-ylmethyl)acetamide

C15H26N2OS — CID 80601172

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(thian-2-ylmethyl)acetamide
SMILESO=C(CC1CC2CCC(C1)N2)NCC1CCCCS1
InChIInChI=1S/C15H26N2OS/c18-15(16-10-14-3-1-2-6-19-14)9-11-7-12-4-5-13(8-11)17-12/h11-14,17H,1-10H2,(H,16,18)
InChIKeySVNSICLTIATBGQ-UHFFFAOYSA-N
MW282.45 g/mol
LogP2.31
Rot. Bonds4

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(thian-2-ylmethyl)acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(thian-2-ylmethyl)acetamide (PubChem CID 80601172) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(thian-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(thian-2-ylmethyl)acetamide
PubChem CID80601172
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(thian-2-ylmethyl)acetamide
SMILESO=C(CC1CC2CCC(C1)N2)NCC1CCCCS1
InChIInChI=1S/C15H26N2OS/c18-15(16-10-14-3-1-2-6-19-14)9-11-7-12-4-5-13(8-11)17-12/h11-14,17H,1-10H2,(H,16,18)
InChIKeySVNSICLTIATBGQ-UHFFFAOYSA-N
XLogP2.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-N-(thian-2-ylmethyl)acetamide
CID 80600083
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-ethylpiperidin-2-yl)methyl]acetamide
CID 119875446
3-oxo-3-(thian-2-ylmethylamino)propanoic acid
CID 80612290
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-oxopyrrolidin-2-yl)methyl]acetamide
CID 79615615
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-hydroxycyclopentyl)methyl]acetamide;hydrochloride
CID 119761458
N-(thian-2-ylmethyl)-2-thiomorpholin-3-ylacetamide
CID 80600876
4-oxo-4-(thian-2-ylmethylamino)butanoic acid
CID 80596063
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,2-dimethylcyclopropyl)methyl]acetamide
CID 113266851
1-(azetidin-3-ylmethyl)-3-(thian-2-ylmethyl)urea
CID 117235091
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 79615256
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cycloheptylacetamide
CID 79607418
N-ethyl-2-(thian-2-ylmethylamino)acetamide
CID 80600619

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(thian-2-ylmethyl)acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(thian-2-ylmethyl)acetamide (CID 80601172) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(thian-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(thian-2-ylmethyl)acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(thian-2-ylmethyl)acetamide is O=C(CC1CC2CCC(C1)N2)NCC1CCCCS1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(thian-2-ylmethyl)acetamide?
The InChIKey is SVNSICLTIATBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c18-15(16-10-14-3-1-2-6-19-14)9-11-7-12-4-5-13(8-11)17-12/h11-14,17H,1-10H2,(H,16,18).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(thian-2-ylmethyl)acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(thian-2-ylmethyl)acetamide has a molecular weight of 282.45 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(thian-2-ylmethyl)acetamide is sourced from PubChem (CID 80601172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).