N-(2-aminoethyl)-1,1-dioxo-N-propan-2-ylthiane-2-carboxamide

C11H22N2O3S — CID 113421782

IUPACN-(2-aminoethyl)-1,1-dioxo-N-propan-2-ylthiane-2-carboxamide
SMILESCC(C)N(CCN)C(=O)C1CCCCS1(=O)=O
InChIInChI=1S/C11H22N2O3S/c1-9(2)13(7-6-12)11(14)10-5-3-4-8-17(10,15)16/h9-10H,3-8,12H2,1-2H3
InChIKeyFILBPJMJQUDFDZ-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.15
Rot. Bonds4

About N-(2-aminoethyl)-1,1-dioxo-N-propan-2-ylthiane-2-carboxamide

N-(2-aminoethyl)-1,1-dioxo-N-propan-2-ylthiane-2-carboxamide (PubChem CID 113421782) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-(2-aminoethyl)-1,1-dioxo-N-propan-2-ylthiane-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1,1-dioxo-N-propan-2-ylthiane-2-carboxamide
PubChem CID113421782
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-(2-aminoethyl)-1,1-dioxo-N-propan-2-ylthiane-2-carboxamide
SMILESCC(C)N(CCN)C(=O)C1CCCCS1(=O)=O
InChIInChI=1S/C11H22N2O3S/c1-9(2)13(7-6-12)11(14)10-5-3-4-8-17(10,15)16/h9-10H,3-8,12H2,1-2H3
InChIKeyFILBPJMJQUDFDZ-UHFFFAOYSA-N
XLogP0.15
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1,1-dioxothiane-2-carbonyl)-propan-2-ylamino]propanoic acid
CID 113421832
N-(3-chloropropyl)-1,1-dioxo-N-propan-2-ylthiane-2-carboxamide
CID 104522223
ethyl 2-[(1,1-dioxothiane-2-carbonyl)-propan-2-ylamino]acetate
CID 104520869
N-(2-aminoethyl)-N-propan-2-ylcyclohexanecarboxamide
CID 28707843
3-[(1,1-dioxothiane-2-carbonyl)-ethylamino]butanoic acid
CID 104517569
N-(1-chloropropan-2-yl)-N-methyl-1,1-dioxothiane-2-carboxamide
CID 104555649
N-(2-chloroethyl)-N-ethyl-1,1-dioxothiane-2-carboxamide
CID 104522236
N-(2-aminoethyl)-N-propan-2-yloxolane-2-carboxamide
CID 61349708
N-methyl-N-(1-methylsulfonylpropan-2-yl)-1,1-dioxothiane-2-carboxamide
CID 136530241
N-(2-bromoethyl)-N-methyl-1,1-dioxothiane-2-carboxamide
CID 104522278
N-(1-amino-4-methylpentan-3-yl)-1,1-dioxothiane-2-carboxamide
CID 114178123
N-(1-amino-1-sulfanylidenepropan-2-yl)-N-methyl-1,1-dioxothiane-2-carboxamide
CID 113422081

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1,1-dioxo-N-propan-2-ylthiane-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1,1-dioxo-N-propan-2-ylthiane-2-carboxamide (CID 113421782) is N-(2-aminoethyl)-1,1-dioxo-N-propan-2-ylthiane-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1,1-dioxo-N-propan-2-ylthiane-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1,1-dioxo-N-propan-2-ylthiane-2-carboxamide is CC(C)N(CCN)C(=O)C1CCCCS1(=O)=O.
What is the InChIKey of N-(2-aminoethyl)-1,1-dioxo-N-propan-2-ylthiane-2-carboxamide?
The InChIKey is FILBPJMJQUDFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-9(2)13(7-6-12)11(14)10-5-3-4-8-17(10,15)16/h9-10H,3-8,12H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-1,1-dioxo-N-propan-2-ylthiane-2-carboxamide?
N-(2-aminoethyl)-1,1-dioxo-N-propan-2-ylthiane-2-carboxamide has a molecular weight of 262.37 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1,1-dioxo-N-propan-2-ylthiane-2-carboxamide is sourced from PubChem (CID 113421782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).