2-(3-ethylsulfonylthiomorpholin-4-yl)-N-(furan-2-ylmethyl)propan-1-amine

C14H24N2O3S2 — CID 66375609

IUPAC2-(3-ethylsulfonylthiomorpholin-4-yl)-N-(furan-2-ylmethyl)propan-1-amine
SMILESCCS(=O)(=O)C1CSCCN1C(C)CNCc1ccco1
InChIInChI=1S/C14H24N2O3S2/c1-3-21(17,18)14-11-20-8-6-16(14)12(2)9-15-10-13-5-4-7-19-13/h4-5,7,12,14-15H,3,6,8-11H2,1-2H3
InChIKeyJDYRJKDLUVPMRO-UHFFFAOYSA-N
MW332.49 g/mol
LogP1.57
Rot. Bonds7

About 2-(3-ethylsulfonylthiomorpholin-4-yl)-N-(furan-2-ylmethyl)propan-1-amine

2-(3-ethylsulfonylthiomorpholin-4-yl)-N-(furan-2-ylmethyl)propan-1-amine (PubChem CID 66375609) has the molecular formula C14H24N2O3S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-(3-ethylsulfonylthiomorpholin-4-yl)-N-(furan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-ethylsulfonylthiomorpholin-4-yl)-N-(furan-2-ylmethyl)propan-1-amine
PubChem CID66375609
Molecular FormulaC14H24N2O3S2
Molecular Weight332.49 g/mol
Exact Mass332.12
IUPAC Name2-(3-ethylsulfonylthiomorpholin-4-yl)-N-(furan-2-ylmethyl)propan-1-amine
SMILESCCS(=O)(=O)C1CSCCN1C(C)CNCc1ccco1
InChIInChI=1S/C14H24N2O3S2/c1-3-21(17,18)14-11-20-8-6-16(14)12(2)9-15-10-13-5-4-7-19-13/h4-5,7,12,14-15H,3,6,8-11H2,1-2H3
InChIKeyJDYRJKDLUVPMRO-UHFFFAOYSA-N
XLogP1.57
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-2-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 62557113
4-(3-ethylsulfonylthiomorpholin-4-yl)-N-(2-methylpropyl)pentan-1-amine
CID 66376758
N-(furan-2-ylmethyl)-2-methylbutan-1-amine
CID 43200420
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 62569548
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-(furan-2-ylmethyl)propan-1-amine
CID 62570711
N-(furan-2-ylmethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
CID 62557140
ethyl 2-(3-ethylsulfonylthiomorpholin-4-yl)propanoate
CID 66378086
2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 66383878
3-(3-ethylsulfonylthiomorpholin-4-yl)-2-methyl-N-propylpropan-1-amine
CID 66377137
2-N-(cyclopropylmethyl)-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 62569948
1-N-(furan-2-ylmethyl)-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62567992
N-(furan-2-ylmethyl)-2-(2-methylpropoxy)propan-1-amine
CID 62567476

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfonylthiomorpholin-4-yl)-N-(furan-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-(3-ethylsulfonylthiomorpholin-4-yl)-N-(furan-2-ylmethyl)propan-1-amine (CID 66375609) is 2-(3-ethylsulfonylthiomorpholin-4-yl)-N-(furan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(3-ethylsulfonylthiomorpholin-4-yl)-N-(furan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(3-ethylsulfonylthiomorpholin-4-yl)-N-(furan-2-ylmethyl)propan-1-amine is CCS(=O)(=O)C1CSCCN1C(C)CNCc1ccco1.
What is the InChIKey of 2-(3-ethylsulfonylthiomorpholin-4-yl)-N-(furan-2-ylmethyl)propan-1-amine?
The InChIKey is JDYRJKDLUVPMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S2/c1-3-21(17,18)14-11-20-8-6-16(14)12(2)9-15-10-13-5-4-7-19-13/h4-5,7,12,14-15H,3,6,8-11H2,1-2H3.
What are the key properties of 2-(3-ethylsulfonylthiomorpholin-4-yl)-N-(furan-2-ylmethyl)propan-1-amine?
2-(3-ethylsulfonylthiomorpholin-4-yl)-N-(furan-2-ylmethyl)propan-1-amine has a molecular weight of 332.49 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfonylthiomorpholin-4-yl)-N-(furan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 66375609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).