(7R)-7-phenyl-3,5-dithia-1-azabicyclo[2.2.1]heptane

C10H11NS2 — CID 11401554

IUPAC(7R)-7-phenyl-3,5-dithia-1-azabicyclo[2.2.1]heptane
SMILESc1ccc([C@@H]2C3SCN2CS3)cc1
InChIInChI=1S/C10H11NS2/c1-2-4-8(5-3-1)9-10-12-6-11(9)7-13-10/h1-5,9-10H,6-7H2/t9-/m1/s1
InChIKeyASEKDYUQAQHOIR-SECBINFHSA-N
MW209.34 g/mol
LogP2.76
Rot. Bonds1

About (7R)-7-phenyl-3,5-dithia-1-azabicyclo[2.2.1]heptane

(7R)-7-phenyl-3,5-dithia-1-azabicyclo[2.2.1]heptane (PubChem CID 11401554) has the molecular formula C10H11NS2 and a molecular weight of 209.34 g/mol. Its IUPAC name is (7R)-7-phenyl-3,5-dithia-1-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(7R)-7-phenyl-3,5-dithia-1-azabicyclo[2.2.1]heptane
PubChem CID11401554
Molecular FormulaC10H11NS2
Molecular Weight209.34 g/mol
Exact Mass209.03
IUPAC Name(7R)-7-phenyl-3,5-dithia-1-azabicyclo[2.2.1]heptane
SMILESc1ccc([C@@H]2C3SCN2CS3)cc1
InChIInChI=1S/C10H11NS2/c1-2-4-8(5-3-1)9-10-12-6-11(9)7-13-10/h1-5,9-10H,6-7H2/t9-/m1/s1
InChIKeyASEKDYUQAQHOIR-SECBINFHSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,5R)-1,3,4,5-tetraphenylimidazolidine
CID 15727757
(2R,3R)-1-ethyl-2,3-diphenylazetidine
CID 100941432
2-[[4,5-diphenyl-3-(pyridin-2-ylmethyl)imidazolidin-1-yl]methyl]pyridine
CID 175980206
4,8,9,10-tetraphenyl-1,3-diazatricyclo[5.1.1.13,5]decan-6-one
CID 2829339
trans-(2S,3S)-1,4,7,10-tetramethyl-2,3-diphenyl-1,4,7,10-tetrazacyclododecane
CID 10667503
2,5-diphenyl-1,3,5-thiadiazinane-4-thione
CID 20813296
(1,3-dimethyl-4,5-diphenylimidazolidin-2-ylidene)azanide
CID 162358368
6-phenyl-2,3,6,8-tetrahydro-[1,3,4]thiadiazolo[3,4-b][1,4,2,3]dioxadiazine
CID 173069281
2-phenyl-1,3-dithiocane
CID 100958713
1,4-bis[(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-ylidene]piperazine-1,4-diium
CID 162416394
(2S,3R)-2-phenyl-1-prop-2-enylazetidin-3-ol
CID 102383033
3-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-one;hydrochloride
CID 24833924

Frequently Asked Questions

What is the IUPAC name of (7R)-7-phenyl-3,5-dithia-1-azabicyclo[2.2.1]heptane?
The IUPAC name of (7R)-7-phenyl-3,5-dithia-1-azabicyclo[2.2.1]heptane (CID 11401554) is (7R)-7-phenyl-3,5-dithia-1-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (7R)-7-phenyl-3,5-dithia-1-azabicyclo[2.2.1]heptane?
The canonical SMILES for (7R)-7-phenyl-3,5-dithia-1-azabicyclo[2.2.1]heptane is c1ccc([C@@H]2C3SCN2CS3)cc1.
What is the InChIKey of (7R)-7-phenyl-3,5-dithia-1-azabicyclo[2.2.1]heptane?
The InChIKey is ASEKDYUQAQHOIR-SECBINFHSA-N. The full InChI is InChI=1S/C10H11NS2/c1-2-4-8(5-3-1)9-10-12-6-11(9)7-13-10/h1-5,9-10H,6-7H2/t9-/m1/s1.
What are the key properties of (7R)-7-phenyl-3,5-dithia-1-azabicyclo[2.2.1]heptane?
(7R)-7-phenyl-3,5-dithia-1-azabicyclo[2.2.1]heptane has a molecular weight of 209.34 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-phenyl-3,5-dithia-1-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 11401554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).