8-[(5-chlorothiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

C12H17ClN2S — CID 61232916

IUPAC8-[(5-chlorothiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2Cc1ccc(Cl)s1
InChIInChI=1S/C12H17ClN2S/c13-12-4-3-11(16-12)7-15-9-1-2-10(15)6-8(14)5-9/h3-4,8-10H,1-2,5-7,14H2
InChIKeyYILLTHRSIVRPNM-UHFFFAOYSA-N
MW256.80 g/mol
LogP2.86
Rot. Bonds2

About 8-[(5-chlorothiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

8-[(5-chlorothiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61232916) has the molecular formula C12H17ClN2S and a molecular weight of 256.80 g/mol. Its IUPAC name is 8-[(5-chlorothiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-[(5-chlorothiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61232916
Molecular FormulaC12H17ClN2S
Molecular Weight256.80 g/mol
Exact Mass256.08
IUPAC Name8-[(5-chlorothiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2Cc1ccc(Cl)s1
InChIInChI=1S/C12H17ClN2S/c13-12-4-3-11(16-12)7-15-9-1-2-10(15)6-8(14)5-9/h3-4,8-10H,1-2,5-7,14H2
InChIKeyYILLTHRSIVRPNM-UHFFFAOYSA-N
XLogP2.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.80
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917354
8-[(4-bromophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 12832203
3-chloro-8-[(5-ethylthiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octane
CID 55236818
8-[(4-chloro-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 79256023
(1R,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 98110557
[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]methanol
CID 51080740
3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methylcyclopentane-1,3-diamine
CID 79468727
(1R,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride
CID 138376241
3-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclopentan-1-amine
CID 66007810
3-amino-N-[(5-chlorothiophen-2-yl)methyl]cyclobutane-1-carboxamide
CID 115161504
(5-chlorothiophen-2-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61314370
(2S,4R)-4-amino-1-[(5-chlorothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 70779572

Frequently Asked Questions

What is the IUPAC name of 8-[(5-chlorothiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-[(5-chlorothiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 61232916) is 8-[(5-chlorothiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-[(5-chlorothiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-[(5-chlorothiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is NC1CC2CCC(C1)N2Cc1ccc(Cl)s1.
What is the InChIKey of 8-[(5-chlorothiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is YILLTHRSIVRPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2S/c13-12-4-3-11(16-12)7-15-9-1-2-10(15)6-8(14)5-9/h3-4,8-10H,1-2,5-7,14H2.
What are the key properties of 8-[(5-chlorothiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
8-[(5-chlorothiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 256.80 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-chlorothiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61232916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).