1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one

C11H21N3O3S — CID 119633040

IUPAC1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one
SMILESNCC1CCCN1C(=O)CCN1CCCS1(=O)=O
InChIInChI=1S/C11H21N3O3S/c12-9-10-3-1-6-14(10)11(15)4-7-13-5-2-8-18(13,16)17/h10H,1-9,12H2
InChIKeyPDLQUTXZAZYRHH-UHFFFAOYSA-N
MW275.37 g/mol
LogP-0.64
Rot. Bonds4

About 1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one

1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one (PubChem CID 119633040) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one
PubChem CID119633040
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC Name1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one
SMILESNCC1CCCN1C(=O)CCN1CCCS1(=O)=O
InChIInChI=1S/C11H21N3O3S/c12-9-10-3-1-6-14(10)11(15)4-7-13-5-2-8-18(13,16)17/h10H,1-9,12H2
InChIKeyPDLQUTXZAZYRHH-UHFFFAOYSA-N
XLogP-0.64
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579124
1-[(2R)-2-(aminomethyl)piperidin-1-yl]tridecan-1-one
CID 129384436
1-[2-(aminomethyl)piperidin-1-yl]decan-1-one
CID 65428281
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-cycloheptylethanone
CID 113265851
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 65159910
3-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one;hydrochloride
CID 119631760
3-(1,1-dioxothiazinan-2-yl)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 110687831
1-[2-(aminomethyl)pyrrolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbutan-1-one
CID 119630905
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride
CID 119634234
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(2-methoxyethoxy)ethanone;hydrochloride
CID 119633758
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[2-(1H-indol-2-yl)piperidin-1-yl]propan-1-one
CID 126782301
3-(3-chloro-1,2-oxazol-5-yl)-1-[(2R)-2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 166316412

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one?
The IUPAC name of 1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one (CID 119633040) is 1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one.
What is the SMILES notation for 1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one?
The canonical SMILES for 1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one is NCC1CCCN1C(=O)CCN1CCCS1(=O)=O.
What is the InChIKey of 1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one?
The InChIKey is PDLQUTXZAZYRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S/c12-9-10-3-1-6-14(10)11(15)4-7-13-5-2-8-18(13,16)17/h10H,1-9,12H2.
What are the key properties of 1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one?
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one has a molecular weight of 275.37 g/mol, XLogP of -0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one is sourced from PubChem (CID 119633040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).