N-[2-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine

C11H25N3O3S — CID 112752107

IUPACN-[2-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine
SMILESCCCN1CCN(CCNCCCOC)S1(=O)=O
InChIInChI=1S/C11H25N3O3S/c1-3-7-13-9-10-14(18(13,15)16)8-6-12-5-4-11-17-2/h12H,3-11H2,1-2H3
InChIKeyBVPFAVXWMROODT-UHFFFAOYSA-N
MW279.41 g/mol
LogP-0.12
Rot. Bonds9

About N-[2-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine

N-[2-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine (PubChem CID 112752107) has the molecular formula C11H25N3O3S and a molecular weight of 279.41 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine
PubChem CID112752107
Molecular FormulaC11H25N3O3S
Molecular Weight279.41 g/mol
Exact Mass279.16
IUPAC NameN-[2-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine
SMILESCCCN1CCN(CCNCCCOC)S1(=O)=O
InChIInChI=1S/C11H25N3O3S/c1-3-7-13-9-10-14(18(13,15)16)8-6-12-5-4-11-17-2/h12H,3-11H2,1-2H3
InChIKeyBVPFAVXWMROODT-UHFFFAOYSA-N
XLogP-0.12
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 5-0.12
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

2-(4-Methoxybutyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 173224039
2-(4-Methoxybutan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 173226597
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine
CID 62566008
N-(3-methoxypropyl)-N-methylpiperazine-1-sulfonamide
CID 63009101
N-(3-methoxypropyl)-N-methyl-1,4-diazepane-1-sulfonamide
CID 63009273
N-(2-amino-3-methoxypropyl)-N-methylpyrrolidine-1-sulfonamide
CID 63765639
N'-[3-methoxypropyl(methyl)sulfamoyl]-N'-methyl-N-propylpropane-1,3-diamine
CID 65797961
N-ethyl-N'-[3-methoxypropyl(methyl)sulfamoyl]-N'-methylpropane-1,3-diamine
CID 65799105
N-[2-(2-methoxyethylamino)ethyl]pyrrolidine-1-sulfonamide
CID 83039015
3-[5-(2-Methoxyethyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]propan-1-amine
CID 96381936
2-[5-(3-Methoxypropyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]ethanamine
CID 96381937
1-[3-Methoxypropylsulfamoyl(methyl)amino]-3-(propylamino)propane
CID 105966395

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine?
The IUPAC name of N-[2-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine (CID 112752107) is N-[2-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine.
What is the SMILES notation for N-[2-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine?
The canonical SMILES for N-[2-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine is CCCN1CCN(CCNCCCOC)S1(=O)=O.
What is the InChIKey of N-[2-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine?
The InChIKey is BVPFAVXWMROODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3S/c1-3-7-13-9-10-14(18(13,15)16)8-6-12-5-4-11-17-2/h12H,3-11H2,1-2H3.
What are the key properties of N-[2-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine?
N-[2-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine has a molecular weight of 279.41 g/mol, XLogP of -0.12, 9 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-5-propyl-1,2,5-thiadiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine is sourced from PubChem (CID 112752107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).