2-(3-ethylsulfonylthiomorpholin-4-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine

C15H32N2O2S2 — CID 66375986

IUPAC2-(3-ethylsulfonylthiomorpholin-4-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCCS(=O)(=O)C1CSCCN1C(CNCC(C)C)C(C)C
InChIInChI=1S/C15H32N2O2S2/c1-6-21(18,19)15-11-20-8-7-17(15)14(13(4)5)10-16-9-12(2)3/h12-16H,6-11H2,1-5H3
InChIKeyINWHCHVZYDBIKR-UHFFFAOYSA-N
MW336.57 g/mol
LogP2.07
Rot. Bonds8

About 2-(3-ethylsulfonylthiomorpholin-4-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine

2-(3-ethylsulfonylthiomorpholin-4-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 66375986) has the molecular formula C15H32N2O2S2 and a molecular weight of 336.57 g/mol. Its IUPAC name is 2-(3-ethylsulfonylthiomorpholin-4-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-(3-ethylsulfonylthiomorpholin-4-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID66375986
Molecular FormulaC15H32N2O2S2
Molecular Weight336.57 g/mol
Exact Mass336.19
IUPAC Name2-(3-ethylsulfonylthiomorpholin-4-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCCS(=O)(=O)C1CSCCN1C(CNCC(C)C)C(C)C
InChIInChI=1S/C15H32N2O2S2/c1-6-21(18,19)15-11-20-8-7-17(15)14(13(4)5)10-16-9-12(2)3/h12-16H,6-11H2,1-5H3
InChIKeyINWHCHVZYDBIKR-UHFFFAOYSA-N
XLogP2.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.57
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-ethylsulfonylthiomorpholin-4-yl)-N-(2-methylpropyl)pentan-1-amine
CID 66376758
N-[3-(3-ethylsulfonylthiomorpholin-4-yl)propyl]-2-methylpropan-1-amine
CID 66375791
3-ethyl-2-(3-ethylsulfonylthiomorpholin-4-yl)pentan-1-amine
CID 66381953
2-(3-ethylsulfonylthiomorpholin-4-yl)propanehydrazide
CID 66377938
2-(3-ethylsulfonylthiomorpholin-4-yl)-3-methoxy-N-propylpropan-1-amine
CID 103226872
ethyl 2-(3-ethylsulfonylthiomorpholin-4-yl)propanoate
CID 66378086
3-(3-ethylsulfonylthiomorpholin-4-yl)-2-methyl-N-propylpropan-1-amine
CID 66377137
2-(3-ethylsulfonylthiomorpholin-4-yl)butanethioamide
CID 66384091
methyl 3-amino-2-(3-ethylsulfonylthiomorpholin-4-yl)propanoate
CID 66381764
2-(3-ethylsulfonylthiomorpholin-4-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 66375609
1-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylpropan-2-amine
CID 66375830
(2R)-1-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylbutan-2-amine
CID 112736892

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfonylthiomorpholin-4-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-(3-ethylsulfonylthiomorpholin-4-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine (CID 66375986) is 2-(3-ethylsulfonylthiomorpholin-4-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-(3-ethylsulfonylthiomorpholin-4-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-(3-ethylsulfonylthiomorpholin-4-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine is CCS(=O)(=O)C1CSCCN1C(CNCC(C)C)C(C)C.
What is the InChIKey of 2-(3-ethylsulfonylthiomorpholin-4-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is INWHCHVZYDBIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2S2/c1-6-21(18,19)15-11-20-8-7-17(15)14(13(4)5)10-16-9-12(2)3/h12-16H,6-11H2,1-5H3.
What are the key properties of 2-(3-ethylsulfonylthiomorpholin-4-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
2-(3-ethylsulfonylthiomorpholin-4-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 336.57 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfonylthiomorpholin-4-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 66375986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).