N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methyl-2-methylsulfonylethanamine

C12H24N2O2S — CID 102894643

IUPACN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methyl-2-methylsulfonylethanamine
SMILESCN(CCS(C)(=O)=O)CC1NCC2CCCC21
InChIInChI=1S/C12H24N2O2S/c1-14(6-7-17(2,15)16)9-12-11-5-3-4-10(11)8-13-12/h10-13H,3-9H2,1-2H3
InChIKeyLRCYFYDDQWXYHU-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.35
Rot. Bonds5

About N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methyl-2-methylsulfonylethanamine

N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methyl-2-methylsulfonylethanamine (PubChem CID 102894643) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methyl-2-methylsulfonylethanamine.

Molecular Properties

Compound NameN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methyl-2-methylsulfonylethanamine
PubChem CID102894643
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methyl-2-methylsulfonylethanamine
SMILESCN(CCS(C)(=O)=O)CC1NCC2CCCC21
InChIInChI=1S/C12H24N2O2S/c1-14(6-7-17(2,15)16)9-12-11-5-3-4-10(11)8-13-12/h10-13H,3-9H2,1-2H3
InChIKeyLRCYFYDDQWXYHU-UHFFFAOYSA-N
XLogP0.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methylethanamine
CID 102894266
N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine
CID 79864052
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 102894568
2-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexan-1-amine
CID 79859494
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-methyl-2-methylsulfonylethanamine
CID 79863863
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine
CID 102894656
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-butylcyclopropanamine
CID 102894360
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N,4-dimethylaniline
CID 102894459
N-methyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopentan-1-amine
CID 79858666
1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 102894289
4-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexan-1-amine
CID 79858261
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-ethylprop-2-yn-1-amine
CID 102894689

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methyl-2-methylsulfonylethanamine?
The IUPAC name of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methyl-2-methylsulfonylethanamine (CID 102894643) is N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methyl-2-methylsulfonylethanamine.
What is the SMILES notation for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methyl-2-methylsulfonylethanamine?
The canonical SMILES for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methyl-2-methylsulfonylethanamine is CN(CCS(C)(=O)=O)CC1NCC2CCCC21.
What is the InChIKey of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methyl-2-methylsulfonylethanamine?
The InChIKey is LRCYFYDDQWXYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-14(6-7-17(2,15)16)9-12-11-5-3-4-10(11)8-13-12/h10-13H,3-9H2,1-2H3.
What are the key properties of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methyl-2-methylsulfonylethanamine?
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methyl-2-methylsulfonylethanamine has a molecular weight of 260.40 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methyl-2-methylsulfonylethanamine is sourced from PubChem (CID 102894643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).