N-(3-methyl-1,1-dioxothiolan-3-yl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide

C12H23N3O3S — CID 63301864

IUPACN-(3-methyl-1,1-dioxothiolan-3-yl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide
SMILESCN(CC(=O)NC1(C)CCS(=O)(=O)C1)C1CCNC1
InChIInChI=1S/C12H23N3O3S/c1-12(4-6-19(17,18)9-12)14-11(16)8-15(2)10-3-5-13-7-10/h10,13H,3-9H2,1-2H3,(H,14,16)
InChIKeyALADVLLNNNCJJG-UHFFFAOYSA-N
MW289.40 g/mol
LogP-1.03
Rot. Bonds4

About N-(3-methyl-1,1-dioxothiolan-3-yl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide

N-(3-methyl-1,1-dioxothiolan-3-yl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide (PubChem CID 63301864) has the molecular formula C12H23N3O3S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(3-methyl-1,1-dioxothiolan-3-yl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3-methyl-1,1-dioxothiolan-3-yl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide
PubChem CID63301864
Molecular FormulaC12H23N3O3S
Molecular Weight289.40 g/mol
Exact Mass289.15
IUPAC NameN-(3-methyl-1,1-dioxothiolan-3-yl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide
SMILESCN(CC(=O)NC1(C)CCS(=O)(=O)C1)C1CCNC1
InChIInChI=1S/C12H23N3O3S/c1-12(4-6-19(17,18)9-12)14-11(16)8-15(2)10-3-5-13-7-10/h10,13H,3-9H2,1-2H3,(H,14,16)
InChIKeyALADVLLNNNCJJG-UHFFFAOYSA-N
XLogP-1.03
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-aminocyclohexyl)-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 79112855
2-[methyl(pyrrolidin-3-yl)amino]-N-(2,4,5-trichlorophenyl)acetamide
CID 63298307
2-[methyl(pyrrolidin-3-yl)amino]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride
CID 119922827
2-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 16768977
2-[3-aminopropyl(methyl)amino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 81492930
2-[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 98720488
N-(2-acetamidoethyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 63301776
N-cyclohexyl-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119922828
3-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide
CID 43697281
2-[[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60839849
2-(2-cyanopiperazin-1-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 79085035
2-(dibenzylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 78761765

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,1-dioxothiolan-3-yl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide?
The IUPAC name of N-(3-methyl-1,1-dioxothiolan-3-yl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide (CID 63301864) is N-(3-methyl-1,1-dioxothiolan-3-yl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide.
What is the SMILES notation for N-(3-methyl-1,1-dioxothiolan-3-yl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide?
The canonical SMILES for N-(3-methyl-1,1-dioxothiolan-3-yl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide is CN(CC(=O)NC1(C)CCS(=O)(=O)C1)C1CCNC1.
What is the InChIKey of N-(3-methyl-1,1-dioxothiolan-3-yl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide?
The InChIKey is ALADVLLNNNCJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3S/c1-12(4-6-19(17,18)9-12)14-11(16)8-15(2)10-3-5-13-7-10/h10,13H,3-9H2,1-2H3,(H,14,16).
What are the key properties of N-(3-methyl-1,1-dioxothiolan-3-yl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide?
N-(3-methyl-1,1-dioxothiolan-3-yl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide has a molecular weight of 289.40 g/mol, XLogP of -1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,1-dioxothiolan-3-yl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide is sourced from PubChem (CID 63301864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).