N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(pentylamino)acetamide

C13H26N2O3S — CID 109003500

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(pentylamino)acetamide
SMILESCCCCCNCC(=O)N(CC)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H26N2O3S/c1-3-5-6-8-14-10-13(16)15(4-2)12-7-9-19(17,18)11-12/h12,14H,3-11H2,1-2H3
InChIKeySUVMMPYTJNNWBC-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.80
Rot. Bonds8

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(pentylamino)acetamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(pentylamino)acetamide (PubChem CID 109003500) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(pentylamino)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(pentylamino)acetamide
PubChem CID109003500
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(pentylamino)acetamide
SMILESCCCCCNCC(=O)N(CC)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H26N2O3S/c1-3-5-6-8-14-10-13(16)15(4-2)12-7-9-19(17,18)11-12/h12,14H,3-11H2,1-2H3
InChIKeySUVMMPYTJNNWBC-UHFFFAOYSA-N
XLogP0.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[butyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 109003501
4-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149349
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[2-(4-methoxyphenyl)ethylamino]acetamide
CID 109001150
1-butyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-pentylurea
CID 97064600
N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(methylamino)acetamide;hydrochloride
CID 119682488
2-(dimethylsulfamoylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 112994297
2-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 63680610
2-[2-(2,4-dichlorophenyl)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 109003507
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
5-[(1,1-dioxothiolan-3-yl)-ethylamino]-5-oxopentanoic acid
CID 43399752
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000857

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(pentylamino)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(pentylamino)acetamide (CID 109003500) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(pentylamino)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(pentylamino)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(pentylamino)acetamide is CCCCCNCC(=O)N(CC)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(pentylamino)acetamide?
The InChIKey is SUVMMPYTJNNWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-3-5-6-8-14-10-13(16)15(4-2)12-7-9-19(17,18)11-12/h12,14H,3-11H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(pentylamino)acetamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(pentylamino)acetamide has a molecular weight of 290.43 g/mol, XLogP of 0.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(pentylamino)acetamide is sourced from PubChem (CID 109003500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).