2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-phenylsulfanylcyclopentyl)methyl]acetamide

C21H30N2OS — CID 119782657

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-phenylsulfanylcyclopentyl)methyl]acetamide
SMILESO=C(CC1CC2CCC(C1)N2)NCC1(Sc2ccccc2)CCCC1
InChIInChI=1S/C21H30N2OS/c24-20(14-16-12-17-8-9-18(13-16)23-17)22-15-21(10-4-5-11-21)25-19-6-2-1-3-7-19/h1-3,6-7,16-18,23H,4-5,8-15H2,(H,22,24)
InChIKeyUDUQECHDKAAPBH-UHFFFAOYSA-N
MW358.55 g/mol
LogP4.13
Rot. Bonds6

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-phenylsulfanylcyclopentyl)methyl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-phenylsulfanylcyclopentyl)methyl]acetamide (PubChem CID 119782657) has the molecular formula C21H30N2OS and a molecular weight of 358.55 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-phenylsulfanylcyclopentyl)methyl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-phenylsulfanylcyclopentyl)methyl]acetamide
PubChem CID119782657
Molecular FormulaC21H30N2OS
Molecular Weight358.55 g/mol
Exact Mass358.21
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-phenylsulfanylcyclopentyl)methyl]acetamide
SMILESO=C(CC1CC2CCC(C1)N2)NCC1(Sc2ccccc2)CCCC1
InChIInChI=1S/C21H30N2OS/c24-20(14-16-12-17-8-9-18(13-16)23-17)22-15-21(10-4-5-11-21)25-19-6-2-1-3-7-19/h1-3,6-7,16-18,23H,4-5,8-15H2,(H,22,24)
InChIKeyUDUQECHDKAAPBH-UHFFFAOYSA-N
XLogP4.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.55
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-phenylsulfanylcyclopentyl)methyl]acetamide with MolForge

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Related Compounds

N-[(1-phenylsulfanylcyclopentyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119782670
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]acetamide;hydrochloride
CID 119799189
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 79615256
3-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclohexane-1-carboxamide
CID 119782649
3-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119782648
4-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide
CID 119323040
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide
CID 105417257
4-(methylamino)-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide
CID 119782643
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-hydroxyethyl)cyclopentyl]methyl]acetamide;hydrochloride
CID 119817816
3-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119782888
1-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119782632
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-hydroxy-2-phenylethyl)acetamide
CID 79609823

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-phenylsulfanylcyclopentyl)methyl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-phenylsulfanylcyclopentyl)methyl]acetamide (CID 119782657) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-phenylsulfanylcyclopentyl)methyl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-phenylsulfanylcyclopentyl)methyl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-phenylsulfanylcyclopentyl)methyl]acetamide is O=C(CC1CC2CCC(C1)N2)NCC1(Sc2ccccc2)CCCC1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-phenylsulfanylcyclopentyl)methyl]acetamide?
The InChIKey is UDUQECHDKAAPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2OS/c24-20(14-16-12-17-8-9-18(13-16)23-17)22-15-21(10-4-5-11-21)25-19-6-2-1-3-7-19/h1-3,6-7,16-18,23H,4-5,8-15H2,(H,22,24).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-phenylsulfanylcyclopentyl)methyl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-phenylsulfanylcyclopentyl)methyl]acetamide has a molecular weight of 358.55 g/mol, XLogP of 4.13, 6 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-[(1-phenylsulfanylcyclopentyl)methyl]acetamide is sourced from PubChem (CID 119782657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).