4-methyl-1,3-bis(morpholin-4-ylsulfanyl)imidazolidin-2-one

C12H22N4O3S2 — CID 21418026

IUPAC4-methyl-1,3-bis(morpholin-4-ylsulfanyl)imidazolidin-2-one
SMILESCC1CN(SN2CCOCC2)C(=O)N1SN1CCOCC1
InChIInChI=1S/C12H22N4O3S2/c1-11-10-15(20-13-2-6-18-7-3-13)12(17)16(11)21-14-4-8-19-9-5-14/h11H,2-10H2,1H3
InChIKeyKJXHBTOUVVRXFI-UHFFFAOYSA-N
MW334.47 g/mol
LogP0.90
Rot. Bonds4

About 4-methyl-1,3-bis(morpholin-4-ylsulfanyl)imidazolidin-2-one

4-methyl-1,3-bis(morpholin-4-ylsulfanyl)imidazolidin-2-one (PubChem CID 21418026) has the molecular formula C12H22N4O3S2 and a molecular weight of 334.47 g/mol. Its IUPAC name is 4-methyl-1,3-bis(morpholin-4-ylsulfanyl)imidazolidin-2-one.

Molecular Properties

Compound Name4-methyl-1,3-bis(morpholin-4-ylsulfanyl)imidazolidin-2-one
PubChem CID21418026
Molecular FormulaC12H22N4O3S2
Molecular Weight334.47 g/mol
Exact Mass334.11
IUPAC Name4-methyl-1,3-bis(morpholin-4-ylsulfanyl)imidazolidin-2-one
SMILESCC1CN(SN2CCOCC2)C(=O)N1SN1CCOCC1
InChIInChI=1S/C12H22N4O3S2/c1-11-10-15(20-13-2-6-18-7-3-13)12(17)16(11)21-14-4-8-19-9-5-14/h11H,2-10H2,1H3
InChIKeyKJXHBTOUVVRXFI-UHFFFAOYSA-N
XLogP0.90
TPSA48.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 50.90
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
1,3-Bis[(2,6-dimethylmorpholin-4-yl)sulfanyl]imidazolidin-2-one
CID 21418030
(4-Ethylpiperazin-1-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 124200325
(4-Methylpiperazin-1-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 124200334
(3-Morpholin-4-ylpyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 126752736
2-Methyl-4-(morpholine-4-carbonyl)piperazine-1-sulfonamide
CID 153819452
[4-(2-Methoxyethyl)-3,5-dimethylpiperazin-1-yl]-morpholin-4-ylmethanone
CID 110290238
[4-[2-(Dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-morpholin-4-ylmethanone
CID 110290389
(3,4-Dimethylpiperazin-1-yl)-morpholin-4-ylmethanone
CID 110869147
(4-Butan-2-ylpiperazin-1-yl)-morpholin-4-ylmethanone
CID 113240732
Morpholin-4-yl-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 115649982

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-bis(morpholin-4-ylsulfanyl)imidazolidin-2-one?
The IUPAC name of 4-methyl-1,3-bis(morpholin-4-ylsulfanyl)imidazolidin-2-one (CID 21418026) is 4-methyl-1,3-bis(morpholin-4-ylsulfanyl)imidazolidin-2-one.
What is the SMILES notation for 4-methyl-1,3-bis(morpholin-4-ylsulfanyl)imidazolidin-2-one?
The canonical SMILES for 4-methyl-1,3-bis(morpholin-4-ylsulfanyl)imidazolidin-2-one is CC1CN(SN2CCOCC2)C(=O)N1SN1CCOCC1.
What is the InChIKey of 4-methyl-1,3-bis(morpholin-4-ylsulfanyl)imidazolidin-2-one?
The InChIKey is KJXHBTOUVVRXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S2/c1-11-10-15(20-13-2-6-18-7-3-13)12(17)16(11)21-14-4-8-19-9-5-14/h11H,2-10H2,1H3.
What are the key properties of 4-methyl-1,3-bis(morpholin-4-ylsulfanyl)imidazolidin-2-one?
4-methyl-1,3-bis(morpholin-4-ylsulfanyl)imidazolidin-2-one has a molecular weight of 334.47 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-bis(morpholin-4-ylsulfanyl)imidazolidin-2-one is sourced from PubChem (CID 21418026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).