3-N-ethyl-3-N-(1-methoxypropan-2-yl)-1,1-dioxothiolane-3,4-diamine

C10H22N2O3S — CID 62692316

IUPAC3-N-ethyl-3-N-(1-methoxypropan-2-yl)-1,1-dioxothiolane-3,4-diamine
SMILESCCN(C(C)COC)C1CS(=O)(=O)CC1N
InChIInChI=1S/C10H22N2O3S/c1-4-12(8(2)5-15-3)10-7-16(13,14)6-9(10)11/h8-10H,4-7,11H2,1-3H3
InChIKeyYXMOBGRSKFSACZ-UHFFFAOYSA-N
MW250.36 g/mol
LogP-0.53
Rot. Bonds5

About 3-N-ethyl-3-N-(1-methoxypropan-2-yl)-1,1-dioxothiolane-3,4-diamine

3-N-ethyl-3-N-(1-methoxypropan-2-yl)-1,1-dioxothiolane-3,4-diamine (PubChem CID 62692316) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 3-N-ethyl-3-N-(1-methoxypropan-2-yl)-1,1-dioxothiolane-3,4-diamine.

Molecular Properties

Compound Name3-N-ethyl-3-N-(1-methoxypropan-2-yl)-1,1-dioxothiolane-3,4-diamine
PubChem CID62692316
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name3-N-ethyl-3-N-(1-methoxypropan-2-yl)-1,1-dioxothiolane-3,4-diamine
SMILESCCN(C(C)COC)C1CS(=O)(=O)CC1N
InChIInChI=1S/C10H22N2O3S/c1-4-12(8(2)5-15-3)10-7-16(13,14)6-9(10)11/h8-10H,4-7,11H2,1-3H3
InChIKeyYXMOBGRSKFSACZ-UHFFFAOYSA-N
XLogP-0.53
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(2-methoxyethyl)-3-N-(1-methoxypropan-2-yl)-1,1-dioxothiolane-3,4-diamine
CID 55108817
3-N-(2-methoxyethyl)-1,1-dioxo-3-N-pentan-3-ylthiolane-3,4-diamine
CID 62691686
3-N,3-N-diethyl-1,1-dioxothiolane-3,4-diamine
CID 62694433
3-N-methyl-3-N-(2-methylpropyl)-1,1-dioxothiolane-3,4-diamine
CID 62692734
2-N,4-diethyl-2-N-(1-methoxypropan-2-yl)cyclohexane-1,2-diamine
CID 55011662
3-N-ethyl-3-N-(2-methylbutyl)-1,1-dioxothiolane-3,4-diamine
CID 79476664
3-N,3-N-bis(2-methylpropyl)-1,1-dioxothiolane-3,4-diamine
CID 62691467
1-N-ethyl-1-N-(1-methoxypropan-2-yl)cyclobutane-1,3-diamine
CID 80561797
3-N-methyl-1,1-dioxo-3-N-pentan-3-ylthiolane-3,4-diamine
CID 62693591
1-N-ethyl-1-N-(1-methoxypropan-2-yl)-3,3-dimethylcyclohexane-1,2-diamine
CID 79828360
2-[(4-amino-1,1-dioxothiolan-3-yl)-ethylamino]acetamide
CID 103102710
3-[ethyl-(4-hydroxy-1,1-dioxothiolan-3-yl)amino]butanoic acid
CID 62827097

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-3-N-(1-methoxypropan-2-yl)-1,1-dioxothiolane-3,4-diamine?
The IUPAC name of 3-N-ethyl-3-N-(1-methoxypropan-2-yl)-1,1-dioxothiolane-3,4-diamine (CID 62692316) is 3-N-ethyl-3-N-(1-methoxypropan-2-yl)-1,1-dioxothiolane-3,4-diamine.
What is the SMILES notation for 3-N-ethyl-3-N-(1-methoxypropan-2-yl)-1,1-dioxothiolane-3,4-diamine?
The canonical SMILES for 3-N-ethyl-3-N-(1-methoxypropan-2-yl)-1,1-dioxothiolane-3,4-diamine is CCN(C(C)COC)C1CS(=O)(=O)CC1N.
What is the InChIKey of 3-N-ethyl-3-N-(1-methoxypropan-2-yl)-1,1-dioxothiolane-3,4-diamine?
The InChIKey is YXMOBGRSKFSACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-4-12(8(2)5-15-3)10-7-16(13,14)6-9(10)11/h8-10H,4-7,11H2,1-3H3.
What are the key properties of 3-N-ethyl-3-N-(1-methoxypropan-2-yl)-1,1-dioxothiolane-3,4-diamine?
3-N-ethyl-3-N-(1-methoxypropan-2-yl)-1,1-dioxothiolane-3,4-diamine has a molecular weight of 250.36 g/mol, XLogP of -0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-3-N-(1-methoxypropan-2-yl)-1,1-dioxothiolane-3,4-diamine is sourced from PubChem (CID 62692316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).