N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide

C14H28N2O4S — CID 62016380

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide
SMILESCCN(C(=O)CN(CCCO)C(C)C)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H28N2O4S/c1-4-16(13-6-9-21(19,20)11-13)14(18)10-15(12(2)3)7-5-8-17/h12-13,17H,4-11H2,1-3H3
InChIKeyWSXOQBJJUUQVML-UHFFFAOYSA-N
MW320.46 g/mol
LogP0.11
Rot. Bonds8

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide (PubChem CID 62016380) has the molecular formula C14H28N2O4S and a molecular weight of 320.46 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide
PubChem CID62016380
Molecular FormulaC14H28N2O4S
Molecular Weight320.46 g/mol
Exact Mass320.18
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide
SMILESCCN(C(=O)CN(CCCO)C(C)C)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H28N2O4S/c1-4-16(13-6-9-21(19,20)11-13)14(18)10-15(12(2)3)7-5-8-17/h12-13,17H,4-11H2,1-3H3
InChIKeyWSXOQBJJUUQVML-UHFFFAOYSA-N
XLogP0.11
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]-N-methylacetamide
CID 60691709
2-[cyclobutyl(2-hydroxyethyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 102676592
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-[butyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 109003501
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 113149470
2-[2-aminoethyl(propan-2-yl)amino]-N-cyclopropyl-N-ethylacetamide
CID 61488181
2-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 63680610
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-hydroxyethylsulfanyl)acetamide
CID 43392466
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide
CID 60743082
2-[azetidin-3-yl(propyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 66215694
5-[(1,1-dioxothiolan-3-yl)-ethylamino]-5-oxopentanoic acid
CID 43399752

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide (CID 62016380) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide is CCN(C(=O)CN(CCCO)C(C)C)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide?
The InChIKey is WSXOQBJJUUQVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4S/c1-4-16(13-6-9-21(19,20)11-13)14(18)10-15(12(2)3)7-5-8-17/h12-13,17H,4-11H2,1-3H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide has a molecular weight of 320.46 g/mol, XLogP of 0.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide is sourced from PubChem (CID 62016380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).