N-cyclopropyl-2-[(1,1-dioxothian-4-yl)amino]-N-ethylacetamide

C12H22N2O3S — CID 54957432

IUPACN-cyclopropyl-2-[(1,1-dioxothian-4-yl)amino]-N-ethylacetamide
SMILESCCN(C(=O)CNC1CCS(=O)(=O)CC1)C1CC1
InChIInChI=1S/C12H22N2O3S/c1-2-14(11-3-4-11)12(15)9-13-10-5-7-18(16,17)8-6-10/h10-11,13H,2-9H2,1H3
InChIKeyYLGGUPGTOIFVIX-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.16
Rot. Bonds5

About N-cyclopropyl-2-[(1,1-dioxothian-4-yl)amino]-N-ethylacetamide

N-cyclopropyl-2-[(1,1-dioxothian-4-yl)amino]-N-ethylacetamide (PubChem CID 54957432) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-cyclopropyl-2-[(1,1-dioxothian-4-yl)amino]-N-ethylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(1,1-dioxothian-4-yl)amino]-N-ethylacetamide
PubChem CID54957432
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC NameN-cyclopropyl-2-[(1,1-dioxothian-4-yl)amino]-N-ethylacetamide
SMILESCCN(C(=O)CNC1CCS(=O)(=O)CC1)C1CC1
InChIInChI=1S/C12H22N2O3S/c1-2-14(11-3-4-11)12(15)9-13-10-5-7-18(16,17)8-6-10/h10-11,13H,2-9H2,1H3
InChIKeyYLGGUPGTOIFVIX-UHFFFAOYSA-N
XLogP0.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 60671834
N-cyclopropyl-3-(cyclopropylamino)-N-ethylpropanamide
CID 60841219
2-[[4-[acetyl(ethyl)amino]cyclohexyl]amino]acetic acid
CID 66567767
2-(dimethylsulfamoylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 112994297
2-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid
CID 43465978
N-cyclopropyl-2-(cyclopropylmethylamino)-N-ethylacetamide
CID 60843358
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(pentylamino)acetamide
CID 109003500
3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-1-ethylurea
CID 47238302
2-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 63680610
3-[cyclopropyl(ethyl)amino]-3-oxopropanoic acid
CID 62231745
2-[butyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 109003501
N-(2-chloroprop-2-enyl)-1,1-dioxothian-4-amine
CID 60871661

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(1,1-dioxothian-4-yl)amino]-N-ethylacetamide?
The IUPAC name of N-cyclopropyl-2-[(1,1-dioxothian-4-yl)amino]-N-ethylacetamide (CID 54957432) is N-cyclopropyl-2-[(1,1-dioxothian-4-yl)amino]-N-ethylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[(1,1-dioxothian-4-yl)amino]-N-ethylacetamide?
The canonical SMILES for N-cyclopropyl-2-[(1,1-dioxothian-4-yl)amino]-N-ethylacetamide is CCN(C(=O)CNC1CCS(=O)(=O)CC1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-[(1,1-dioxothian-4-yl)amino]-N-ethylacetamide?
The InChIKey is YLGGUPGTOIFVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-2-14(11-3-4-11)12(15)9-13-10-5-7-18(16,17)8-6-10/h10-11,13H,2-9H2,1H3.
What are the key properties of N-cyclopropyl-2-[(1,1-dioxothian-4-yl)amino]-N-ethylacetamide?
N-cyclopropyl-2-[(1,1-dioxothian-4-yl)amino]-N-ethylacetamide has a molecular weight of 274.39 g/mol, XLogP of 0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(1,1-dioxothian-4-yl)amino]-N-ethylacetamide is sourced from PubChem (CID 54957432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).