N-[[3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]furan-2-yl]methyl]propan-1-amine

C14H24N2O3S2 — CID 66382066

IUPACN-[[3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1CN1CCSCC1S(C)(=O)=O
InChIInChI=1S/C14H24N2O3S2/c1-3-5-15-9-13-12(4-7-19-13)10-16-6-8-20-11-14(16)21(2,17)18/h4,7,14-15H,3,5-6,8-11H2,1-2H3
InChIKeyCDHORSWUPMEHEZ-UHFFFAOYSA-N
MW332.49 g/mol
LogP1.70
Rot. Bonds7

About N-[[3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]furan-2-yl]methyl]propan-1-amine

N-[[3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]furan-2-yl]methyl]propan-1-amine (PubChem CID 66382066) has the molecular formula C14H24N2O3S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-[[3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]furan-2-yl]methyl]propan-1-amine
PubChem CID66382066
Molecular FormulaC14H24N2O3S2
Molecular Weight332.49 g/mol
Exact Mass332.12
IUPAC NameN-[[3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1CN1CCSCC1S(C)(=O)=O
InChIInChI=1S/C14H24N2O3S2/c1-3-5-15-9-13-12(4-7-19-13)10-16-6-8-20-11-14(16)21(2,17)18/h4,7,14-15H,3,5-6,8-11H2,1-2H3
InChIKeyCDHORSWUPMEHEZ-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 66384379
N-[[3-(piperidin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine
CID 62424704
N-[[3-[(2-propylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 83061390
N-[[3-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 107456302
4-[(4-iodophenyl)methyl]-3-methylsulfonylthiomorpholine
CID 66383011
N-methyl-3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]pyridin-2-amine
CID 66383594
N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]furan-2-yl]methyl]propan-1-amine
CID 63978913
N-[[2-[(4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 62439899
N-[[2-(morpholin-4-ylmethyl)furan-3-yl]methyl]propan-1-amine
CID 62439019
N-[[3-(1,4-thiazepan-4-ylmethyl)furan-2-yl]methyl]ethanamine
CID 55069141
N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 66377163
N-[[3-(2,3-dihydroindol-1-ylmethyl)furan-2-yl]methyl]propan-1-amine
CID 62423399

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]furan-2-yl]methyl]propan-1-amine (CID 66382066) is N-[[3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]furan-2-yl]methyl]propan-1-amine is CCCNCc1occc1CN1CCSCC1S(C)(=O)=O.
What is the InChIKey of N-[[3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]furan-2-yl]methyl]propan-1-amine?
The InChIKey is CDHORSWUPMEHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S2/c1-3-5-15-9-13-12(4-7-19-13)10-16-6-8-20-11-14(16)21(2,17)18/h4,7,14-15H,3,5-6,8-11H2,1-2H3.
What are the key properties of N-[[3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]furan-2-yl]methyl]propan-1-amine?
N-[[3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]furan-2-yl]methyl]propan-1-amine has a molecular weight of 332.49 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 66382066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).