2-[butyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide

C13H26N2O3S — CID 109003501

IUPAC2-[butyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
SMILESCCCCN(C)CC(=O)N(CC)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H26N2O3S/c1-4-6-8-14(3)10-13(16)15(5-2)12-7-9-19(17,18)11-12/h12H,4-11H2,1-3H3
InChIKeyZVPQJNOMSFXGHC-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.75
Rot. Bonds7

About 2-[butyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide

2-[butyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide (PubChem CID 109003501) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
PubChem CID109003501
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name2-[butyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
SMILESCCCCN(C)CC(=O)N(CC)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H26N2O3S/c1-4-6-8-14(3)10-13(16)15(5-2)12-7-9-19(17,18)11-12/h12H,4-11H2,1-3H3
InChIKeyZVPQJNOMSFXGHC-UHFFFAOYSA-N
XLogP0.75
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[ethyl(methyl)amino]acetamide
CID 60516837
N-(1,1-dioxothiolan-3-yl)-2-(dipropylamino)-N-ethylacetamide
CID 109003505
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 60505525
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(pentylamino)acetamide
CID 109003500
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 79645531
2-[azetidin-3-yl(propyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 66215694
2-[3-(3-chlorophenoxy)propyl-methylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 60507014
N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(methylamino)acetamide;hydrochloride
CID 119682488
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106613965
2-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 63680610
3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-butyl-N-methylpropanamide
CID 113121639
2-[[butyl(methyl)carbamoyl]-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 61184804

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
The IUPAC name of 2-[butyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide (CID 109003501) is 2-[butyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide.
What is the SMILES notation for 2-[butyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
The canonical SMILES for 2-[butyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide is CCCCN(C)CC(=O)N(CC)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[butyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
The InChIKey is ZVPQJNOMSFXGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-4-6-8-14(3)10-13(16)15(5-2)12-7-9-19(17,18)11-12/h12H,4-11H2,1-3H3.
What are the key properties of 2-[butyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
2-[butyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide has a molecular weight of 290.43 g/mol, XLogP of 0.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide is sourced from PubChem (CID 109003501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).