N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine

C9H20N2O3S — CID 62566008

IUPACN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine
SMILESCOCCCNCCN1CCCS1(=O)=O
InChIInChI=1S/C9H20N2O3S/c1-14-8-2-4-10-5-7-11-6-3-9-15(11,12)13/h10H,2-9H2,1H3
InChIKeyWQNWVBNEQQKHAB-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.35
Rot. Bonds7

About N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine

N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine (PubChem CID 62566008) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine
PubChem CID62566008
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine
SMILESCOCCCNCCN1CCCS1(=O)=O
InChIInChI=1S/C9H20N2O3S/c1-14-8-2-4-10-5-7-11-6-3-9-15(11,12)13/h10H,2-9H2,1H3
InChIKeyWQNWVBNEQQKHAB-UHFFFAOYSA-N
XLogP-0.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methoxypropane-2-sulfonamide
CID 75510917
N-(2-methoxyethyl)-3-pyrrolidin-1-ylsulfonylpropan-1-amine
CID 91807460
2-[3-[3-(ethylamino)propoxy]propylamino]-N,N-dimethylethanesulfonamide
CID 132021145
1-Methoxypropane-1-sulfonate;pyrrolidin-1-ium
CID 141103032
N-(3-methoxypropyl)-2-piperazin-1-ylethanesulfonamide
CID 54972317
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 55088032
N-[2-(3-methoxypropylamino)ethyl]methanesulfonamide
CID 60925443
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]propan-1-amine
CID 61387837
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylethanamine
CID 61387839
N-(3-ethoxypropyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 61546695
N-(3-ethoxypropyl)-2-(ethylamino)ethanesulfonamide
CID 61546729
N-(3-methoxypropyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 61549675

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine?
The IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine (CID 62566008) is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine.
What is the SMILES notation for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine?
The canonical SMILES for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine is COCCCNCCN1CCCS1(=O)=O.
What is the InChIKey of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine?
The InChIKey is WQNWVBNEQQKHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-14-8-2-4-10-5-7-11-6-3-9-15(11,12)13/h10H,2-9H2,1H3.
What are the key properties of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine?
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine has a molecular weight of 236.34 g/mol, XLogP of -0.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine is sourced from PubChem (CID 62566008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).