N-[3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propyl]cyclopropanamine

C10H20N2O2S — CID 79589412

IUPACN-[3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propyl]cyclopropanamine
SMILESCC1CN(CCCNC2CC2)S(=O)(=O)C1
InChIInChI=1S/C10H20N2O2S/c1-9-7-12(15(13,14)8-9)6-2-5-11-10-3-4-10/h9-11H,2-8H2,1H3
InChIKeyOKJDSOZILWAUAS-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.41
Rot. Bonds5

About N-[3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propyl]cyclopropanamine

N-[3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propyl]cyclopropanamine (PubChem CID 79589412) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-[3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propyl]cyclopropanamine
PubChem CID79589412
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC NameN-[3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propyl]cyclopropanamine
SMILESCC1CN(CCCNC2CC2)S(=O)(=O)C1
InChIInChI=1S/C10H20N2O2S/c1-9-7-12(15(13,14)8-9)6-2-5-11-10-3-4-10/h9-11H,2-8H2,1H3
InChIKeyOKJDSOZILWAUAS-UHFFFAOYSA-N
XLogP0.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-N-propylcyclohexan-1-amine
CID 79580707
N-[5-(3,4-dimethylpyrrolidin-1-yl)pentyl]cyclopropanamine
CID 79184231
N,N'-bis(1-methylpiperidin-4-yl)hexane-1,6-diamine
CID 4712087
N,N'-dicyclopropyloctane-1,8-diamine
CID 66337537
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]cyclopropanamine
CID 60868216
3-(cyclopropylamino)-N-(1,3-dimethylpiperidin-4-yl)propane-1-sulfonamide
CID 106083082
4-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine
CID 115651935
4-methyl-N-[2-(3-methylpyrrolidin-1-yl)ethyl]cyclohexan-1-amine
CID 62561809
N-[4-(3,4,5-trimethylpiperazin-1-yl)butyl]cyclopropanamine
CID 114540197
N-[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butyl]cyclopropanamine
CID 102887483
N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butyl]cyclopropanamine
CID 104960941
3-(cyclopropylamino)-N-(4-methylpiperazin-1-yl)propane-1-sulfonamide
CID 106075545

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propyl]cyclopropanamine?
The IUPAC name of N-[3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propyl]cyclopropanamine (CID 79589412) is N-[3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propyl]cyclopropanamine is CC1CN(CCCNC2CC2)S(=O)(=O)C1.
What is the InChIKey of N-[3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propyl]cyclopropanamine?
The InChIKey is OKJDSOZILWAUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-9-7-12(15(13,14)8-9)6-2-5-11-10-3-4-10/h9-11H,2-8H2,1H3.
What are the key properties of N-[3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propyl]cyclopropanamine?
N-[3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propyl]cyclopropanamine has a molecular weight of 232.35 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propyl]cyclopropanamine is sourced from PubChem (CID 79589412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).