N-(2-methylpropoxy)-1,1-dioxothiolane-3-sulfonamide

C8H17NO5S2 — CID 82715020

IUPACN-(2-methylpropoxy)-1,1-dioxothiolane-3-sulfonamide
SMILESCC(C)CONS(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H17NO5S2/c1-7(2)5-14-9-16(12,13)8-3-4-15(10,11)6-8/h7-9H,3-6H2,1-2H3
InChIKeyYDEYSSWKMZZHDU-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.32
Rot. Bonds5

About N-(2-methylpropoxy)-1,1-dioxothiolane-3-sulfonamide

N-(2-methylpropoxy)-1,1-dioxothiolane-3-sulfonamide (PubChem CID 82715020) has the molecular formula C8H17NO5S2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(2-methylpropoxy)-1,1-dioxothiolane-3-sulfonamide.

Molecular Properties

Compound NameN-(2-methylpropoxy)-1,1-dioxothiolane-3-sulfonamide
PubChem CID82715020
Molecular FormulaC8H17NO5S2
Molecular Weight271.36 g/mol
Exact Mass271.05
IUPAC NameN-(2-methylpropoxy)-1,1-dioxothiolane-3-sulfonamide
SMILESCC(C)CONS(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H17NO5S2/c1-7(2)5-14-9-16(12,13)8-3-4-15(10,11)6-8/h7-9H,3-6H2,1-2H3
InChIKeyYDEYSSWKMZZHDU-UHFFFAOYSA-N
XLogP-0.32
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-2-hydroxypropyl]-1,1-dioxothiolane-3-sulfonamide
CID 83058487
1,1-dioxo-N-(2,2,2-trifluoroethoxy)thiolane-3-sulfonamide
CID 82715812
1,1-dioxo-N-propan-2-ylthiolane-3-sulfonamide
CID 43827643
N-(2-amino-4-methylpentyl)-1,1-dioxothiolane-3-sulfonamide
CID 43606367
N-[2-(2-hydroxypropylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide
CID 113430482
2-[(1,1-dioxothiolan-3-yl)sulfonylamino]-3-methylpentanoic acid
CID 43351320
N-[2-(methylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide
CID 62659118
methyl 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]acetate
CID 43624219
N-(3-methoxypropyl)-1,1-dioxothiolane-3-sulfonamide
CID 43827633
methyl 3-(1,1-dioxothiolan-3-yl)sulfonyl-2-methylpropanoate
CID 66116046
N-[(2R)-2-hydroxypropyl]-1,1-dioxothiane-4-sulfonamide
CID 83030738
methyl 2-[(1,1-dioxothiolan-3-yl)sulfonyl-propan-2-ylamino]acetate
CID 55005731

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropoxy)-1,1-dioxothiolane-3-sulfonamide?
The IUPAC name of N-(2-methylpropoxy)-1,1-dioxothiolane-3-sulfonamide (CID 82715020) is N-(2-methylpropoxy)-1,1-dioxothiolane-3-sulfonamide.
What is the SMILES notation for N-(2-methylpropoxy)-1,1-dioxothiolane-3-sulfonamide?
The canonical SMILES for N-(2-methylpropoxy)-1,1-dioxothiolane-3-sulfonamide is CC(C)CONS(=O)(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(2-methylpropoxy)-1,1-dioxothiolane-3-sulfonamide?
The InChIKey is YDEYSSWKMZZHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO5S2/c1-7(2)5-14-9-16(12,13)8-3-4-15(10,11)6-8/h7-9H,3-6H2,1-2H3.
What are the key properties of N-(2-methylpropoxy)-1,1-dioxothiolane-3-sulfonamide?
N-(2-methylpropoxy)-1,1-dioxothiolane-3-sulfonamide has a molecular weight of 271.36 g/mol, XLogP of -0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropoxy)-1,1-dioxothiolane-3-sulfonamide is sourced from PubChem (CID 82715020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).