(3aS,6aR)-2-methylidene-6-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole

C10H17NS — CID 158691200

IUPAC(3aS,6aR)-2-methylidene-6-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole
SMILESC=C1C[C@@H]2CSC(C(C)C)[C@@H]2N1
InChIInChI=1S/C10H17NS/c1-6(2)10-9-8(5-12-10)4-7(3)11-9/h6,8-11H,3-5H2,1-2H3/t8-,9-,10?/m1/s1
InChIKeyDARIWDLCOSAMPH-MGRQHWMJSA-N
MW183.32 g/mol
LogP2.25
Rot. Bonds1

About (3aS,6aR)-2-methylidene-6-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole

(3aS,6aR)-2-methylidene-6-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole (PubChem CID 158691200) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is (3aS,6aR)-2-methylidene-6-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole.

Molecular Properties

Compound Name(3aS,6aR)-2-methylidene-6-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole
PubChem CID158691200
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name(3aS,6aR)-2-methylidene-6-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole
SMILESC=C1C[C@@H]2CSC(C(C)C)[C@@H]2N1
InChIInChI=1S/C10H17NS/c1-6(2)10-9-8(5-12-10)4-7(3)11-9/h6,8-11H,3-5H2,1-2H3/t8-,9-,10?/m1/s1
InChIKeyDARIWDLCOSAMPH-MGRQHWMJSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3aS,6aR)-2-methylidene-6-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole with MolForge

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Related Compounds

(3aR,6aS)-6-tert-butyl-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole
CID 59863945
6-Methyl-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole
CID 132264029
4-Tert-butyl-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole
CID 148648462
5-Methylidene-3-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-b]pyrrole
CID 158881410
2-Methylidene-4-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole
CID 159277970
(3aS,4S,6aR)-4-methyl-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole;ethane
CID 160463751
(3aS,4S,6aR)-4-methyl-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole
CID 160463752
3-methyl-N-[5-(2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pent-1-en-2-yl]heptan-1-amine
CID 170089543
1-N-[6-[3-methyl-4-(methylamino)thiolan-2-yl]hex-1-en-2-yl]hexane-1,5-diamine
CID 141828039
5-Methylidene-8-propan-2-yl-1,4-thiazocane
CID 158612051
(3aS,6aR)-6-(5-methylhexyl)-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole
CID 158691201

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-2-methylidene-6-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole?
The IUPAC name of (3aS,6aR)-2-methylidene-6-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole (CID 158691200) is (3aS,6aR)-2-methylidene-6-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole.
What is the SMILES notation for (3aS,6aR)-2-methylidene-6-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole?
The canonical SMILES for (3aS,6aR)-2-methylidene-6-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole is C=C1C[C@@H]2CSC(C(C)C)[C@@H]2N1.
What is the InChIKey of (3aS,6aR)-2-methylidene-6-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole?
The InChIKey is DARIWDLCOSAMPH-MGRQHWMJSA-N. The full InChI is InChI=1S/C10H17NS/c1-6(2)10-9-8(5-12-10)4-7(3)11-9/h6,8-11H,3-5H2,1-2H3/t8-,9-,10?/m1/s1.
What are the key properties of (3aS,6aR)-2-methylidene-6-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole?
(3aS,6aR)-2-methylidene-6-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole has a molecular weight of 183.32 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-2-methylidene-6-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole is sourced from PubChem (CID 158691200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).