N-[2-(2-hydroxypropylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide

C9H20N2O5S2 — CID 113430482

IUPACN-[2-(2-hydroxypropylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide
SMILESCC(O)CNCCNS(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H20N2O5S2/c1-8(12)6-10-3-4-11-18(15,16)9-2-5-17(13,14)7-9/h8-12H,2-7H2,1H3
InChIKeyACRYJZRYWSSVBE-UHFFFAOYSA-N
MW300.40 g/mol
LogP-1.94
Rot. Bonds7

About N-[2-(2-hydroxypropylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide

N-[2-(2-hydroxypropylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide (PubChem CID 113430482) has the molecular formula C9H20N2O5S2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[2-(2-hydroxypropylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-hydroxypropylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide
PubChem CID113430482
Molecular FormulaC9H20N2O5S2
Molecular Weight300.40 g/mol
Exact Mass300.08
IUPAC NameN-[2-(2-hydroxypropylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide
SMILESCC(O)CNCCNS(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H20N2O5S2/c1-8(12)6-10-3-4-11-18(15,16)9-2-5-17(13,14)7-9/h8-12H,2-7H2,1H3
InChIKeyACRYJZRYWSSVBE-UHFFFAOYSA-N
XLogP-1.94
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 5-1.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-2-hydroxypropyl]-1,1-dioxothiolane-3-sulfonamide
CID 83058487
N-[2-(methylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide
CID 62659118
N-[(2R)-2-hydroxypropyl]-1,1-dioxothiane-4-sulfonamide
CID 83030738
4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxybutanoic acid
CID 114006725
1,1-dioxo-N-propan-2-ylthiolane-3-sulfonamide
CID 43827643
N-(2-amino-4-methylpentyl)-1,1-dioxothiolane-3-sulfonamide
CID 43606367
N-(3-methoxypropyl)-1,1-dioxothiolane-3-sulfonamide
CID 43827633
2-(1,1-dioxothiolan-3-yl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide
CID 104593410
N-(2-methylpropoxy)-1,1-dioxothiolane-3-sulfonamide
CID 82715020
methyl 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]acetate
CID 43624219
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1,1-dioxothiolane-3-sulfonamide
CID 65121394
2-hydroxy-1-[2-(sulfamoylamino)ethylamino]propane
CID 114959448

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide?
The IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide (CID 113430482) is N-[2-(2-hydroxypropylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide.
What is the SMILES notation for N-[2-(2-hydroxypropylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide?
The canonical SMILES for N-[2-(2-hydroxypropylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide is CC(O)CNCCNS(=O)(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[2-(2-hydroxypropylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide?
The InChIKey is ACRYJZRYWSSVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O5S2/c1-8(12)6-10-3-4-11-18(15,16)9-2-5-17(13,14)7-9/h8-12H,2-7H2,1H3.
What are the key properties of N-[2-(2-hydroxypropylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide?
N-[2-(2-hydroxypropylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide has a molecular weight of 300.40 g/mol, XLogP of -1.94, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxypropylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide is sourced from PubChem (CID 113430482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).