[di(propan-2-yl)amino]-dimorpholin-4-ylsulfanium

C14H30N3O2S+ — CID 14902875

IUPAC[di(propan-2-yl)amino]-dimorpholin-4-ylsulfanium
SMILESCC(C)N(C(C)C)[S+](N1CCOCC1)N1CCOCC1
InChIInChI=1S/C14H30N3O2S/c1-13(2)17(14(3)4)20(15-5-9-18-10-6-15)16-7-11-19-12-8-16/h13-14H,5-12H2,1-4H3/q+1
InChIKeyZQJORYBYUVTALE-UHFFFAOYSA-N
MW304.48 g/mol
LogP1.13
Rot. Bonds5

About [di(propan-2-yl)amino]-dimorpholin-4-ylsulfanium

[di(propan-2-yl)amino]-dimorpholin-4-ylsulfanium (PubChem CID 14902875) has the molecular formula C14H30N3O2S+ and a molecular weight of 304.48 g/mol. Its IUPAC name is [di(propan-2-yl)amino]-dimorpholin-4-ylsulfanium.

Molecular Properties

Compound Name[di(propan-2-yl)amino]-dimorpholin-4-ylsulfanium
PubChem CID14902875
Molecular FormulaC14H30N3O2S+
Molecular Weight304.48 g/mol
Exact Mass304.21
IUPAC Name[di(propan-2-yl)amino]-dimorpholin-4-ylsulfanium
SMILESCC(C)N(C(C)C)[S+](N1CCOCC1)N1CCOCC1
InChIInChI=1S/C14H30N3O2S/c1-13(2)17(14(3)4)20(15-5-9-18-10-6-15)16-7-11-19-12-8-16/h13-14H,5-12H2,1-4H3/q+1
InChIKeyZQJORYBYUVTALE-UHFFFAOYSA-N
XLogP1.13
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-propan-2-yl-N-pyrrolidin-1-ylmorpholin-4-amine
CID 154350722
N-[(2S)-butan-2-yl]morpholine-4-sulfonamide
CID 95135939
[16-[bis(dimethylamino)-methylphosphaniumyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-bis(dimethylamino)-methylphosphanium
CID 3071874
1-[1-hydroxyethyl(morpholin-4-yl)amino]ethanol
CID 57069485
fluoromethane;4-propan-2-ylmorpholine
CID 177187231
lithium;4-methylmorpholine;chloride
CID 172748649
N-(2-aminoethyl)-N-propan-2-ylmorpholine-4-carboxamide
CID 79155314
4-morpholin-4-yl-N,N-di(propan-2-yl)butan-2-amine
CID 174780048
silver 1-morpholin-4-ylethanethiol
CID 19374206
methoxy-morpholin-4-yl-propan-2-ylphosphane
CID 171807486
1,1-dimorpholin-4-ylpropan-2-ol
CID 141196639
N,N-dimethyl-1-(2-morpholin-4-ylethoxy)ethanamine
CID 123734761

Frequently Asked Questions

What is the IUPAC name of [di(propan-2-yl)amino]-dimorpholin-4-ylsulfanium?
The IUPAC name of [di(propan-2-yl)amino]-dimorpholin-4-ylsulfanium (CID 14902875) is [di(propan-2-yl)amino]-dimorpholin-4-ylsulfanium.
What is the SMILES notation for [di(propan-2-yl)amino]-dimorpholin-4-ylsulfanium?
The canonical SMILES for [di(propan-2-yl)amino]-dimorpholin-4-ylsulfanium is CC(C)N(C(C)C)[S+](N1CCOCC1)N1CCOCC1.
What is the InChIKey of [di(propan-2-yl)amino]-dimorpholin-4-ylsulfanium?
The InChIKey is ZQJORYBYUVTALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N3O2S/c1-13(2)17(14(3)4)20(15-5-9-18-10-6-15)16-7-11-19-12-8-16/h13-14H,5-12H2,1-4H3/q+1.
What are the key properties of [di(propan-2-yl)amino]-dimorpholin-4-ylsulfanium?
[di(propan-2-yl)amino]-dimorpholin-4-ylsulfanium has a molecular weight of 304.48 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [di(propan-2-yl)amino]-dimorpholin-4-ylsulfanium is sourced from PubChem (CID 14902875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).