(1S,5R)-8-methyl-3-(3-methylphenyl)sulfanyl-8-azabicyclo[3.2.1]octane

C15H21NS — CID 58762880

IUPAC(1S,5R)-8-methyl-3-(3-methylphenyl)sulfanyl-8-azabicyclo[3.2.1]octane
SMILESCc1cccc(SC2C[C@H]3CC[C@@H](C2)N3C)c1
InChIInChI=1S/C15H21NS/c1-11-4-3-5-14(8-11)17-15-9-12-6-7-13(10-15)16(12)2/h3-5,8,12-13,15H,6-7,9-10H2,1-2H3/t12-,13+,15?
InChIKeyHHGJQULDMWJOBW-NNQSOWQGSA-N
MW247.41 g/mol
LogP3.71
Rot. Bonds2

About (1S,5R)-8-methyl-3-(3-methylphenyl)sulfanyl-8-azabicyclo[3.2.1]octane

(1S,5R)-8-methyl-3-(3-methylphenyl)sulfanyl-8-azabicyclo[3.2.1]octane (PubChem CID 58762880) has the molecular formula C15H21NS and a molecular weight of 247.41 g/mol. Its IUPAC name is (1S,5R)-8-methyl-3-(3-methylphenyl)sulfanyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-8-methyl-3-(3-methylphenyl)sulfanyl-8-azabicyclo[3.2.1]octane
PubChem CID58762880
Molecular FormulaC15H21NS
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC Name(1S,5R)-8-methyl-3-(3-methylphenyl)sulfanyl-8-azabicyclo[3.2.1]octane
SMILESCc1cccc(SC2C[C@H]3CC[C@@H](C2)N3C)c1
InChIInChI=1S/C15H21NS/c1-11-4-3-5-14(8-11)17-15-9-12-6-7-13(10-15)16(12)2/h3-5,8,12-13,15H,6-7,9-10H2,1-2H3/t12-,13+,15?
InChIKeyHHGJQULDMWJOBW-NNQSOWQGSA-N
XLogP3.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

1-methyl-4-(3-methylphenyl)sulfanylpiperidine
CID 142206872
8-methyl-3-(3-methylphenyl)-8-azabicyclo[3.2.1]octane
CID 90754912
3-(3-methylphenyl)sulfanylcyclohexan-1-amine
CID 64723633
3-(3-methylphenyl)sulfanylcyclopentan-1-one
CID 64724457
(1S,5S)-3-[(6-chloro-2-pyridinyl)sulfanyl]-8-methyl-8-azabicyclo[3.2.1]octane
CID 98133894
1-methyl-3-(3-methylidenecyclohexyl)sulfanylbenzene
CID 142055381
2-(3-methylphenyl)sulfanylcyclopentan-1-ol
CID 61244535
trans-(1S,2S)-2-(3-methylphenyl)sulfanylcyclohexan-1-ol
CID 102732787
1,2-bis[(3-methylphenyl)sulfanyl]benzene
CID 58715664
[4-(3-methylphenyl)sulfanylpiperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 70776396
[2-(3-methylphenyl)sulfanylcyclopropyl]methanol
CID 130610527
4-[4-(3-methylphenyl)sulfanyloxan-2-yl]pyridine
CID 131962656

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-8-methyl-3-(3-methylphenyl)sulfanyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-8-methyl-3-(3-methylphenyl)sulfanyl-8-azabicyclo[3.2.1]octane (CID 58762880) is (1S,5R)-8-methyl-3-(3-methylphenyl)sulfanyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-8-methyl-3-(3-methylphenyl)sulfanyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-8-methyl-3-(3-methylphenyl)sulfanyl-8-azabicyclo[3.2.1]octane is Cc1cccc(SC2C[C@H]3CC[C@@H](C2)N3C)c1.
What is the InChIKey of (1S,5R)-8-methyl-3-(3-methylphenyl)sulfanyl-8-azabicyclo[3.2.1]octane?
The InChIKey is HHGJQULDMWJOBW-NNQSOWQGSA-N. The full InChI is InChI=1S/C15H21NS/c1-11-4-3-5-14(8-11)17-15-9-12-6-7-13(10-15)16(12)2/h3-5,8,12-13,15H,6-7,9-10H2,1-2H3/t12-,13+,15?.
What are the key properties of (1S,5R)-8-methyl-3-(3-methylphenyl)sulfanyl-8-azabicyclo[3.2.1]octane?
(1S,5R)-8-methyl-3-(3-methylphenyl)sulfanyl-8-azabicyclo[3.2.1]octane has a molecular weight of 247.41 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-8-methyl-3-(3-methylphenyl)sulfanyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 58762880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).