3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide

C10H20N2O4S2 — CID 106059860

IUPAC3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide
SMILESO=S1(=O)CCC(NS(=O)(=O)CCCNC2CC2)C1
InChIInChI=1S/C10H20N2O4S2/c13-17(14)7-4-10(8-17)12-18(15,16)6-1-5-11-9-2-3-9/h9-12H,1-8H2
InChIKeyPBLBMEYSSORBOI-UHFFFAOYSA-N
MW296.41 g/mol
LogP-0.76
Rot. Bonds7

About 3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide

3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide (PubChem CID 106059860) has the molecular formula C10H20N2O4S2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide
PubChem CID106059860
Molecular FormulaC10H20N2O4S2
Molecular Weight296.41 g/mol
Exact Mass296.09
IUPAC Name3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide
SMILESO=S1(=O)CCC(NS(=O)(=O)CCCNC2CC2)C1
InChIInChI=1S/C10H20N2O4S2/c13-17(14)7-4-10(8-17)12-18(15,16)6-1-5-11-9-2-3-9/h9-12H,1-8H2
InChIKeyPBLBMEYSSORBOI-UHFFFAOYSA-N
XLogP-0.76
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1,1-dioxothian-3-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 63923373
3-amino-N-(1,1-dioxothian-3-yl)propane-1-sulfonamide
CID 63923323
N-(3-fluoropropyl)-1,1-dioxothiolan-3-amine
CID 81105550
N-(1,1-dioxothian-3-yl)-4-(propylamino)butane-1-sulfonamide
CID 106065955
1,1-dioxo-N-(2-propylsulfonylethyl)thiolan-3-amine
CID 106513325
2-(cyclopropylamino)-N-[(1,1-dioxothiolan-3-yl)methyl]ethanesulfonamide
CID 106016789
3-(cyclopropylamino)-N-pentan-3-ylpropane-1-sulfonamide
CID 106032168
2-[[(3S)-1,1-dioxothiolan-3-yl]amino]ethanol
CID 7058904
N'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine
CID 2772236
3-(cyclopropylamino)-N-(3-methylsulfanylcyclohexyl)propane-1-sulfonamide
CID 106091366
N-(5-methylhexyl)-1,1-dioxothiolan-3-amine
CID 115325005
3-(cyclopropylamino)-N-(1,3-dimethylpiperidin-4-yl)propane-1-sulfonamide
CID 106083082

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide?
The IUPAC name of 3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide (CID 106059860) is 3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide?
The canonical SMILES for 3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide is O=S1(=O)CCC(NS(=O)(=O)CCCNC2CC2)C1.
What is the InChIKey of 3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide?
The InChIKey is PBLBMEYSSORBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S2/c13-17(14)7-4-10(8-17)12-18(15,16)6-1-5-11-9-2-3-9/h9-12H,1-8H2.
What are the key properties of 3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide?
3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide has a molecular weight of 296.41 g/mol, XLogP of -0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide is sourced from PubChem (CID 106059860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).