(4aR,7aR)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]thiopyran

C8H14S — CID 22215290

IUPAC(4aR,7aR)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]thiopyran
SMILESC1C[C@@H]2CCSC[C@@H]2C1
InChIInChI=1S/C8H14S/c1-2-7-4-5-9-6-8(7)3-1/h7-8H,1-6H2/t7-,8+/m1/s1
InChIKeyVMMGGEGCDOPQTE-SFYZADRCSA-N
MW142.27 g/mol
LogP2.54
Rot. Bonds

About (4aR,7aR)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]thiopyran

(4aR,7aR)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]thiopyran (PubChem CID 22215290) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is (4aR,7aR)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]thiopyran.

Molecular Properties

Compound Name(4aR,7aR)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]thiopyran
PubChem CID22215290
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name(4aR,7aR)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]thiopyran
SMILESC1C[C@@H]2CCSC[C@@H]2C1
InChIInChI=1S/C8H14S/c1-2-7-4-5-9-6-8(7)3-1/h7-8H,1-6H2/t7-,8+/m1/s1
InChIKeyVMMGGEGCDOPQTE-SFYZADRCSA-N
XLogP2.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,4,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[c]thiepine
CID 118209764
3-cyclopropylthiane
CID 57306935
4-(thian-3-yl)piperidine
CID 82602229
5-methyl-2,4,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[d]thiepine
CID 14039442
tricyclo[11.3.0.05,9]hexadecane
CID 154595560
1,2,3,3a,4,5,6,6a-octahydropentalene;phosphane
CID 174450452
(1R,5R)-bicyclo[3.2.0]heptane
CID 123536914
2-(thiolan-3-yl)piperidine
CID 82653358
(4-cyclobutylthian-3-yl)methanamine
CID 84769832
2-(thiolan-3-yl)-1,3-thiazinane
CID 107133550
3-cyclobutylthiomorpholine
CID 105430849
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane
CID 158726060

Frequently Asked Questions

What is the IUPAC name of (4aR,7aR)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]thiopyran?
The IUPAC name of (4aR,7aR)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]thiopyran (CID 22215290) is (4aR,7aR)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]thiopyran.
What is the SMILES notation for (4aR,7aR)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]thiopyran?
The canonical SMILES for (4aR,7aR)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]thiopyran is C1C[C@@H]2CCSC[C@@H]2C1.
What is the InChIKey of (4aR,7aR)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]thiopyran?
The InChIKey is VMMGGEGCDOPQTE-SFYZADRCSA-N. The full InChI is InChI=1S/C8H14S/c1-2-7-4-5-9-6-8(7)3-1/h7-8H,1-6H2/t7-,8+/m1/s1.
What are the key properties of (4aR,7aR)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]thiopyran?
(4aR,7aR)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]thiopyran has a molecular weight of 142.27 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,7aR)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]thiopyran is sourced from PubChem (CID 22215290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).