N-(2-aminopropyl)-1,1-dioxothiolane-2-carboxamide

C8H16N2O3S — CID 164655113

IUPACN-(2-aminopropyl)-1,1-dioxothiolane-2-carboxamide
SMILESCC(N)CNC(=O)C1CCCS1(=O)=O
InChIInChI=1S/C8H16N2O3S/c1-6(9)5-10-8(11)7-3-2-4-14(7,12)13/h6-7H,2-5,9H2,1H3,(H,10,11)
InChIKeyQTULFAORWYHDDQ-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.97
Rot. Bonds3

About N-(2-aminopropyl)-1,1-dioxothiolane-2-carboxamide

N-(2-aminopropyl)-1,1-dioxothiolane-2-carboxamide (PubChem CID 164655113) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is N-(2-aminopropyl)-1,1-dioxothiolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-1,1-dioxothiolane-2-carboxamide
PubChem CID164655113
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC NameN-(2-aminopropyl)-1,1-dioxothiolane-2-carboxamide
SMILESCC(N)CNC(=O)C1CCCS1(=O)=O
InChIInChI=1S/C8H16N2O3S/c1-6(9)5-10-8(11)7-3-2-4-14(7,12)13/h6-7H,2-5,9H2,1H3,(H,10,11)
InChIKeyQTULFAORWYHDDQ-UHFFFAOYSA-N
XLogP-0.97
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-hydroxypropyl]-1,1-dioxothiolane-2-carboxamide
CID 164654059
N-(2-cyanopropyl)-1,1-dioxothiane-2-carboxamide
CID 104519277
N-(4-chloro-2-methylbutyl)-1,1-dioxothiane-2-carboxamide
CID 104522379
2-amino-1-(1,1-dioxothiolan-2-yl)propan-1-one
CID 115018608
N-(2-amino-2-methylpropyl)-1,1-dioxothiane-2-carboxamide
CID 104520827
N-(5-hydroxy-4-methylpentyl)-1,1-dioxothiane-2-carboxamide
CID 104920511
N-(1-amino-4-methylpentan-3-yl)-1,1-dioxothiane-2-carboxamide
CID 114178123
N-(2-amino-2-hydroxyiminoethyl)-1,1-dioxothiane-2-carboxamide
CID 104521751
N-[(2-aminocyclopentyl)methyl]-1,1-dioxothiane-2-carboxamide
CID 104522509
N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,1-dioxothiane-2-carboxamide
CID 104520487
N-(4-chlorobutan-2-yl)-1,1-dioxothiane-2-carboxamide
CID 104522465
3-[(1,1-dioxothiane-2-carbonyl)amino]propanoic acid
CID 104517400

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-1,1-dioxothiolane-2-carboxamide?
The IUPAC name of N-(2-aminopropyl)-1,1-dioxothiolane-2-carboxamide (CID 164655113) is N-(2-aminopropyl)-1,1-dioxothiolane-2-carboxamide.
What is the SMILES notation for N-(2-aminopropyl)-1,1-dioxothiolane-2-carboxamide?
The canonical SMILES for N-(2-aminopropyl)-1,1-dioxothiolane-2-carboxamide is CC(N)CNC(=O)C1CCCS1(=O)=O.
What is the InChIKey of N-(2-aminopropyl)-1,1-dioxothiolane-2-carboxamide?
The InChIKey is QTULFAORWYHDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-6(9)5-10-8(11)7-3-2-4-14(7,12)13/h6-7H,2-5,9H2,1H3,(H,10,11).
What are the key properties of N-(2-aminopropyl)-1,1-dioxothiolane-2-carboxamide?
N-(2-aminopropyl)-1,1-dioxothiolane-2-carboxamide has a molecular weight of 220.29 g/mol, XLogP of -0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-1,1-dioxothiolane-2-carboxamide is sourced from PubChem (CID 164655113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).