1,3-bis[(2,6-dimethylmorpholin-4-yl)sulfanyl]imidazolidin-2-one

C15H28N4O3S2 — CID 21418030

IUPAC1,3-bis[(2,6-dimethylmorpholin-4-yl)sulfanyl]imidazolidin-2-one
SMILESCC1CN(SN2CCN(SN3CC(C)OC(C)C3)C2=O)CC(C)O1
InChIInChI=1S/C15H28N4O3S2/c1-11-7-16(8-12(2)21-11)23-18-5-6-19(15(18)20)24-17-9-13(3)22-14(4)10-17/h11-14H,5-10H2,1-4H3
InChIKeyHGBQZAKGGGGDLJ-UHFFFAOYSA-N
MW376.55 g/mol
LogP2.07
Rot. Bonds4

About 1,3-bis[(2,6-dimethylmorpholin-4-yl)sulfanyl]imidazolidin-2-one

1,3-bis[(2,6-dimethylmorpholin-4-yl)sulfanyl]imidazolidin-2-one (PubChem CID 21418030) has the molecular formula C15H28N4O3S2 and a molecular weight of 376.55 g/mol. Its IUPAC name is 1,3-bis[(2,6-dimethylmorpholin-4-yl)sulfanyl]imidazolidin-2-one.

Molecular Properties

Compound Name1,3-bis[(2,6-dimethylmorpholin-4-yl)sulfanyl]imidazolidin-2-one
PubChem CID21418030
Molecular FormulaC15H28N4O3S2
Molecular Weight376.55 g/mol
Exact Mass376.16
IUPAC Name1,3-bis[(2,6-dimethylmorpholin-4-yl)sulfanyl]imidazolidin-2-one
SMILESCC1CN(SN2CCN(SN3CC(C)OC(C)C3)C2=O)CC(C)O1
InChIInChI=1S/C15H28N4O3S2/c1-11-7-16(8-12(2)21-11)23-18-5-6-19(15(18)20)24-17-9-13(3)22-14(4)10-17/h11-14H,5-10H2,1-4H3
InChIKeyHGBQZAKGGGGDLJ-UHFFFAOYSA-N
XLogP2.07
TPSA48.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-{[4-(1-Pyrrolidinylsulfonyl)-1-piperazinyl]carbonyl}morpholine
CID 16958283
1,3-Bis[(morpholin-4-yl)sulfanyl]imidazolidin-2-one
CID 21418013
4-Methyl-1,3-bis(morpholin-4-ylsulfanyl)imidazolidin-2-one
CID 21418026
4-[2-[(Dimethylamino)methyl]morpholine-4-carbonyl]piperazine-1-carbaldehyde
CID 175842564

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(2,6-dimethylmorpholin-4-yl)sulfanyl]imidazolidin-2-one?
The IUPAC name of 1,3-bis[(2,6-dimethylmorpholin-4-yl)sulfanyl]imidazolidin-2-one (CID 21418030) is 1,3-bis[(2,6-dimethylmorpholin-4-yl)sulfanyl]imidazolidin-2-one.
What is the SMILES notation for 1,3-bis[(2,6-dimethylmorpholin-4-yl)sulfanyl]imidazolidin-2-one?
The canonical SMILES for 1,3-bis[(2,6-dimethylmorpholin-4-yl)sulfanyl]imidazolidin-2-one is CC1CN(SN2CCN(SN3CC(C)OC(C)C3)C2=O)CC(C)O1.
What is the InChIKey of 1,3-bis[(2,6-dimethylmorpholin-4-yl)sulfanyl]imidazolidin-2-one?
The InChIKey is HGBQZAKGGGGDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O3S2/c1-11-7-16(8-12(2)21-11)23-18-5-6-19(15(18)20)24-17-9-13(3)22-14(4)10-17/h11-14H,5-10H2,1-4H3.
What are the key properties of 1,3-bis[(2,6-dimethylmorpholin-4-yl)sulfanyl]imidazolidin-2-one?
1,3-bis[(2,6-dimethylmorpholin-4-yl)sulfanyl]imidazolidin-2-one has a molecular weight of 376.55 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(2,6-dimethylmorpholin-4-yl)sulfanyl]imidazolidin-2-one is sourced from PubChem (CID 21418030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).