N-(1,1-dioxothiolan-3-yl)-2-(dipropylamino)-N-ethylacetamide

C14H28N2O3S — CID 109003505

IUPACN-(1,1-dioxothiolan-3-yl)-2-(dipropylamino)-N-ethylacetamide
SMILESCCCN(CCC)CC(=O)N(CC)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H28N2O3S/c1-4-8-15(9-5-2)11-14(17)16(6-3)13-7-10-20(18,19)12-13/h13H,4-12H2,1-3H3
InChIKeyPUFXJRXQOQZPKJ-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.14
Rot. Bonds8

About N-(1,1-dioxothiolan-3-yl)-2-(dipropylamino)-N-ethylacetamide

N-(1,1-dioxothiolan-3-yl)-2-(dipropylamino)-N-ethylacetamide (PubChem CID 109003505) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(dipropylamino)-N-ethylacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(dipropylamino)-N-ethylacetamide
PubChem CID109003505
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(dipropylamino)-N-ethylacetamide
SMILESCCCN(CCC)CC(=O)N(CC)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H28N2O3S/c1-4-8-15(9-5-2)11-14(17)16(6-3)13-7-10-20(18,19)12-13/h13H,4-12H2,1-3H3
InChIKeyPUFXJRXQOQZPKJ-UHFFFAOYSA-N
XLogP1.14
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.14
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
2-[azetidin-3-yl(propyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 66215694
2-[butyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 109003501
2-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 63680610
N-(1,1-dioxothiolan-3-yl)-2-[2-hydroxyethyl(propyl)amino]-N-methylacetamide
CID 60691708
2-[cyclobutyl(2-hydroxyethyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 102676592
N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 3386590
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 3813491
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide
CID 62016380
2-[cyclopentyl-[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl]amino]acetamide
CID 94453620
5-[(1,1-dioxothiolan-3-yl)-ethylamino]-5-oxopentanoic acid
CID 43399752
N-[(3S)-1,1-dioxothiolan-3-yl]-2-methoxy-N-propylacetamide
CID 95586858

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(dipropylamino)-N-ethylacetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(dipropylamino)-N-ethylacetamide (CID 109003505) is N-(1,1-dioxothiolan-3-yl)-2-(dipropylamino)-N-ethylacetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(dipropylamino)-N-ethylacetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(dipropylamino)-N-ethylacetamide is CCCN(CCC)CC(=O)N(CC)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(dipropylamino)-N-ethylacetamide?
The InChIKey is PUFXJRXQOQZPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-4-8-15(9-5-2)11-14(17)16(6-3)13-7-10-20(18,19)12-13/h13H,4-12H2,1-3H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(dipropylamino)-N-ethylacetamide?
N-(1,1-dioxothiolan-3-yl)-2-(dipropylamino)-N-ethylacetamide has a molecular weight of 304.46 g/mol, XLogP of 1.14, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-(dipropylamino)-N-ethylacetamide is sourced from PubChem (CID 109003505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).