2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)ethanamine

C9H18N2O2S — CID 115559716

IUPAC2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)ethanamine
SMILESNCCS(=O)(=O)N1CC2CCCC2C1
InChIInChI=1S/C9H18N2O2S/c10-4-5-14(12,13)11-6-8-2-1-3-9(8)7-11/h8-9H,1-7,10H2
InChIKeyCDNKGVYDJRBWMB-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.01
Rot. Bonds3

About 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)ethanamine

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)ethanamine (PubChem CID 115559716) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)ethanamine.

Molecular Properties

Compound Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)ethanamine
PubChem CID115559716
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)ethanamine
SMILESNCCS(=O)(=O)N1CC2CCCC2C1
InChIInChI=1S/C9H18N2O2S/c10-4-5-14(12,13)11-6-8-2-1-3-9(8)7-11/h8-9H,1-7,10H2
InChIKeyCDNKGVYDJRBWMB-UHFFFAOYSA-N
XLogP0.01
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)butanoic acid
CID 115559214
2-(azepan-1-ylsulfonyl)ethanamine
CID 22692377
2-[1-(2-aminoethylsulfonyl)piperidin-3-yl]ethanol
CID 107227327
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-N-methylbutan-1-amine
CID 113336375
1-(2-aminoethylsulfonyl)pyrrolidin-3-ol
CID 62941538
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-N-ethylpropan-1-amine
CID 113336371
1-(2-aminoethylsulfonyl)piperidin-4-ol
CID 16781197
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-N-ethylbutan-1-amine
CID 115562859
2-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanamine
CID 98010112
2-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylethanamine
CID 64569912
2-piperazin-1-ylsulfonylethanamine
CID 16762501
1-(2-aminoethylsulfonyl)piperidin-4-one
CID 131168704

Frequently Asked Questions

What is the IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)ethanamine?
The IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)ethanamine (CID 115559716) is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)ethanamine.
What is the SMILES notation for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)ethanamine?
The canonical SMILES for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)ethanamine is NCCS(=O)(=O)N1CC2CCCC2C1.
What is the InChIKey of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)ethanamine?
The InChIKey is CDNKGVYDJRBWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c10-4-5-14(12,13)11-6-8-2-1-3-9(8)7-11/h8-9H,1-7,10H2.
What are the key properties of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)ethanamine?
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)ethanamine has a molecular weight of 218.32 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)ethanamine is sourced from PubChem (CID 115559716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).