(2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3,3-dimethylbutan-2-amine

C12H26N2O2S2 — CID 112736889

IUPAC(2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3,3-dimethylbutan-2-amine
SMILESCCS(=O)(=O)C1CSCCN1C[C@H](N)C(C)(C)C
InChIInChI=1S/C12H26N2O2S2/c1-5-18(15,16)11-9-17-7-6-14(11)8-10(13)12(2,3)4/h10-11H,5-9,13H2,1-4H3/t10-,11?/m0/s1
InChIKeyYGGNPKVQDAAXOJ-VUWPPUDQSA-N
MW294.49 g/mol
LogP1.17
Rot. Bonds4

About (2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3,3-dimethylbutan-2-amine

(2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3,3-dimethylbutan-2-amine (PubChem CID 112736889) has the molecular formula C12H26N2O2S2 and a molecular weight of 294.49 g/mol. Its IUPAC name is (2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name(2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3,3-dimethylbutan-2-amine
PubChem CID112736889
Molecular FormulaC12H26N2O2S2
Molecular Weight294.49 g/mol
Exact Mass294.14
IUPAC Name(2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3,3-dimethylbutan-2-amine
SMILESCCS(=O)(=O)C1CSCCN1C[C@H](N)C(C)(C)C
InChIInChI=1S/C12H26N2O2S2/c1-5-18(15,16)11-9-17-7-6-14(11)8-10(13)12(2,3)4/h10-11H,5-9,13H2,1-4H3/t10-,11?/m0/s1
InChIKeyYGGNPKVQDAAXOJ-VUWPPUDQSA-N
XLogP1.17
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylbutan-2-amine
CID 112736892
4-(3-ethylsulfonylthiomorpholin-4-yl)-2,3,3-trimethylbutan-2-amine
CID 66376796
2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]butan-1-amine
CID 66376993
1-(3-ethylsulfonylthiomorpholin-4-yl)-4-methoxybutan-2-amine
CID 66377574
4-(2,2-diethoxyethyl)-3-ethylsulfonylthiomorpholine
CID 66376930
1-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylpropan-2-amine
CID 66375830
1-(3-ethylsulfonylthiomorpholin-4-yl)-4,4-dimethylpentan-3-ol
CID 66375790
5-(3-ethylsulfonylthiomorpholin-4-yl)-4-methylpentan-1-amine
CID 104682301
2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropanethioamide
CID 103368769
1-(3-ethylsulfonylthiomorpholin-4-yl)-N,2-dimethylpropan-2-amine
CID 66377767
3-(3-ethylsulfonylthiomorpholin-4-yl)-2-methyl-N-propylpropan-1-amine
CID 66377137
4-(2-bromoethyl)-3-ethylsulfonylthiomorpholine
CID 66375585

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3,3-dimethylbutan-2-amine?
The IUPAC name of (2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3,3-dimethylbutan-2-amine (CID 112736889) is (2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3,3-dimethylbutan-2-amine.
What is the SMILES notation for (2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3,3-dimethylbutan-2-amine?
The canonical SMILES for (2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3,3-dimethylbutan-2-amine is CCS(=O)(=O)C1CSCCN1C[C@H](N)C(C)(C)C.
What is the InChIKey of (2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3,3-dimethylbutan-2-amine?
The InChIKey is YGGNPKVQDAAXOJ-VUWPPUDQSA-N. The full InChI is InChI=1S/C12H26N2O2S2/c1-5-18(15,16)11-9-17-7-6-14(11)8-10(13)12(2,3)4/h10-11H,5-9,13H2,1-4H3/t10-,11?/m0/s1.
What are the key properties of (2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3,3-dimethylbutan-2-amine?
(2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3,3-dimethylbutan-2-amine has a molecular weight of 294.49 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 112736889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).