(3aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophen-5-amine

C7H13NS — CID 170433615

IUPAC(3aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophen-5-amine
SMILESNC1CC2CSC[C@H]2C1
InChIInChI=1S/C7H13NS/c8-7-1-5-3-9-4-6(5)2-7/h5-7H,1-4,8H2/t5-,6?,7?/m1/s1
InChIKeySEDRLMWUIFWPTH-GRQBKTHUSA-N
MW143.25 g/mol
LogP1.09
Rot. Bonds

About (3aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophen-5-amine

(3aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophen-5-amine (PubChem CID 170433615) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is (3aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophen-5-amine.

Molecular Properties

Compound Name(3aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophen-5-amine
PubChem CID170433615
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name(3aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophen-5-amine
SMILESNC1CC2CSC[C@H]2C1
InChIInChI=1S/C7H13NS/c8-7-1-5-3-9-4-6(5)2-7/h5-7H,1-4,8H2/t5-,6?,7?/m1/s1
InChIKeySEDRLMWUIFWPTH-GRQBKTHUSA-N
XLogP1.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophen-5-amine with MolForge

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Launch Full Analysis

Related Compounds

ethane;3-thiabicyclo[3.1.0]hexane
CID 144739840
thiane-3,5-diamine
CID 156770129
bicyclo[3.2.0]heptan-3-amine
CID 53402094
3-(3-aminocyclobutyl)cyclobutan-1-ol
CID 147350454
(1R,5R,6S)-bicyclo[3.2.0]heptane-3,6-diamine
CID 178194389
5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-amine
CID 105431578
3-(3-aminocyclopentyl)cyclopentan-1-amine;methane
CID 160598150
(1S,5S,6R,8S,12S,15S,19S,20R,24R)-6,13,20,22,24,26-hexamethoxy-3,10,17-trithiatetracyclo[17.2.2.25,8.212,15]heptacosane
CID 138752565
(3aS,6aR)-5-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-amine
CID 177148579
3-(3-propan-2-ylcyclobutyl)cyclobutan-1-amine
CID 146600064
(1S,3R,6R)-bicyclo[4.1.0]heptan-3-amine
CID 125040803
3-[3-[3-[3-[3-[2-[3-[3-[3-(2-cyclopropylcyclopropyl)cyclobutyl]cyclobutyl]cyclobutyl]cyclopropyl]cyclobutyl]cyclopentyl]cyclopentyl]cyclopentyl]cyclobutan-1-amine
CID 134502157

Frequently Asked Questions

What is the IUPAC name of (3aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophen-5-amine?
The IUPAC name of (3aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophen-5-amine (CID 170433615) is (3aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophen-5-amine.
What is the SMILES notation for (3aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophen-5-amine?
The canonical SMILES for (3aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophen-5-amine is NC1CC2CSC[C@H]2C1.
What is the InChIKey of (3aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophen-5-amine?
The InChIKey is SEDRLMWUIFWPTH-GRQBKTHUSA-N. The full InChI is InChI=1S/C7H13NS/c8-7-1-5-3-9-4-6(5)2-7/h5-7H,1-4,8H2/t5-,6?,7?/m1/s1.
What are the key properties of (3aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophen-5-amine?
(3aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophen-5-amine has a molecular weight of 143.25 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophen-5-amine is sourced from PubChem (CID 170433615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).