(1R)-1-[(2R)-4-(4,5-dimethylthiophen-2-yl)sulfonylmorpholin-2-yl]ethanamine

C12H20N2O3S2 — CID 99852857

IUPAC(1R)-1-[(2R)-4-(4,5-dimethylthiophen-2-yl)sulfonylmorpholin-2-yl]ethanamine
SMILESCc1cc(S(=O)(=O)N2CCO[C@@H]([C@@H](C)N)C2)sc1C
InChIInChI=1S/C12H20N2O3S2/c1-8-6-12(18-10(8)3)19(15,16)14-4-5-17-11(7-14)9(2)13/h6,9,11H,4-5,7,13H2,1-3H3/t9-,11-/m1/s1
InChIKeyCGRQMQGVBPSYPI-MWLCHTKSSA-N
MW304.44 g/mol
LogP1.10
Rot. Bonds3

About (1R)-1-[(2R)-4-(4,5-dimethylthiophen-2-yl)sulfonylmorpholin-2-yl]ethanamine

(1R)-1-[(2R)-4-(4,5-dimethylthiophen-2-yl)sulfonylmorpholin-2-yl]ethanamine (PubChem CID 99852857) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is (1R)-1-[(2R)-4-(4,5-dimethylthiophen-2-yl)sulfonylmorpholin-2-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[(2R)-4-(4,5-dimethylthiophen-2-yl)sulfonylmorpholin-2-yl]ethanamine
PubChem CID99852857
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC Name(1R)-1-[(2R)-4-(4,5-dimethylthiophen-2-yl)sulfonylmorpholin-2-yl]ethanamine
SMILESCc1cc(S(=O)(=O)N2CCO[C@@H]([C@@H](C)N)C2)sc1C
InChIInChI=1S/C12H20N2O3S2/c1-8-6-12(18-10(8)3)19(15,16)14-4-5-17-11(7-14)9(2)13/h6,9,11H,4-5,7,13H2,1-3H3/t9-,11-/m1/s1
InChIKeyCGRQMQGVBPSYPI-MWLCHTKSSA-N
XLogP1.10
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-bromo-4-methylphenyl)sulfonylmorpholin-2-yl]ethanamine
CID 115315337
1-[4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]morpholin-2-yl]ethanamine
CID 115315246
1-(4-piperidin-1-ylsulfonylmorpholin-2-yl)ethanamine
CID 113285038
2-(1-aminoethyl)-N-(2-methylpropyl)morpholine-4-sulfonamide
CID 114816233
1-[4-[(3-fluoro-2-pyridinyl)sulfonyl]morpholin-2-yl]ethanamine
CID 103302658
2-[4-[2-(1-aminoethyl)morpholin-4-yl]sulfonylphenyl]acetonitrile
CID 115315299
2-[2-(1-aminoethyl)morpholin-4-yl]sulfonylpropanenitrile
CID 115315266
1-(4,5-dimethylthiophen-2-yl)sulfonyl-N-methylpyrrolidine-3-carboxamide
CID 136548371
1-[4-(2,6-dimethyl-4-pyridinyl)morpholin-2-yl]ethanamine
CID 114272217
2-(1-aminoethyl)-N-cyclopropylmorpholine-4-sulfonamide
CID 114811287
1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylmorpholin-2-yl]ethanamine
CID 115315408
1-[(2R)-4-(5-chloro-4-methylthiophen-2-yl)sulfonylmorpholin-2-yl]-N,N-dimethylmethanamine
CID 99858914

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2R)-4-(4,5-dimethylthiophen-2-yl)sulfonylmorpholin-2-yl]ethanamine?
The IUPAC name of (1R)-1-[(2R)-4-(4,5-dimethylthiophen-2-yl)sulfonylmorpholin-2-yl]ethanamine (CID 99852857) is (1R)-1-[(2R)-4-(4,5-dimethylthiophen-2-yl)sulfonylmorpholin-2-yl]ethanamine.
What is the SMILES notation for (1R)-1-[(2R)-4-(4,5-dimethylthiophen-2-yl)sulfonylmorpholin-2-yl]ethanamine?
The canonical SMILES for (1R)-1-[(2R)-4-(4,5-dimethylthiophen-2-yl)sulfonylmorpholin-2-yl]ethanamine is Cc1cc(S(=O)(=O)N2CCO[C@@H]([C@@H](C)N)C2)sc1C.
What is the InChIKey of (1R)-1-[(2R)-4-(4,5-dimethylthiophen-2-yl)sulfonylmorpholin-2-yl]ethanamine?
The InChIKey is CGRQMQGVBPSYPI-MWLCHTKSSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-8-6-12(18-10(8)3)19(15,16)14-4-5-17-11(7-14)9(2)13/h6,9,11H,4-5,7,13H2,1-3H3/t9-,11-/m1/s1.
What are the key properties of (1R)-1-[(2R)-4-(4,5-dimethylthiophen-2-yl)sulfonylmorpholin-2-yl]ethanamine?
(1R)-1-[(2R)-4-(4,5-dimethylthiophen-2-yl)sulfonylmorpholin-2-yl]ethanamine has a molecular weight of 304.44 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2R)-4-(4,5-dimethylthiophen-2-yl)sulfonylmorpholin-2-yl]ethanamine is sourced from PubChem (CID 99852857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).