N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1-(3-methylthiophen-2-yl)ethanamine

C13H22N2O2S2 — CID 75515455

IUPACN-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1-(3-methylthiophen-2-yl)ethanamine
SMILESCc1ccsc1C(C)NC[C@H]1CCCN1S(C)(=O)=O
InChIInChI=1S/C13H22N2O2S2/c1-10-6-8-18-13(10)11(2)14-9-12-5-4-7-15(12)19(3,16)17/h6,8,11-12,14H,4-5,7,9H2,1-3H3/t11?,12-/m1/s1
InChIKeyURTDIOLJLSMWCN-PIJUOVFKSA-N
MW302.46 g/mol
LogP2.13
Rot. Bonds5

About N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1-(3-methylthiophen-2-yl)ethanamine

N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1-(3-methylthiophen-2-yl)ethanamine (PubChem CID 75515455) has the molecular formula C13H22N2O2S2 and a molecular weight of 302.46 g/mol. Its IUPAC name is N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1-(3-methylthiophen-2-yl)ethanamine
PubChem CID75515455
Molecular FormulaC13H22N2O2S2
Molecular Weight302.46 g/mol
Exact Mass302.11
IUPAC NameN-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1-(3-methylthiophen-2-yl)ethanamine
SMILESCc1ccsc1C(C)NC[C@H]1CCCN1S(C)(=O)=O
InChIInChI=1S/C13H22N2O2S2/c1-10-6-8-18-13(10)11(2)14-9-12-5-4-7-15(12)19(3,16)17/h6,8,11-12,14H,4-5,7,9H2,1-3H3/t11?,12-/m1/s1
InChIKeyURTDIOLJLSMWCN-PIJUOVFKSA-N
XLogP2.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1-(3-methylthiophen-2-yl)ethanamine (CID 75515455) is N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1-(3-methylthiophen-2-yl)ethanamine is Cc1ccsc1C(C)NC[C@H]1CCCN1S(C)(=O)=O.
What is the InChIKey of N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is URTDIOLJLSMWCN-PIJUOVFKSA-N. The full InChI is InChI=1S/C13H22N2O2S2/c1-10-6-8-18-13(10)11(2)14-9-12-5-4-7-15(12)19(3,16)17/h6,8,11-12,14H,4-5,7,9H2,1-3H3/t11?,12-/m1/s1.
What are the key properties of N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1-(3-methylthiophen-2-yl)ethanamine?
N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1-(3-methylthiophen-2-yl)ethanamine has a molecular weight of 302.46 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 75515455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).