1-(cyclopropylamino)-N-[(3-methoxyoxolan-3-yl)methyl]propane-2-sulfonamide

C12H24N2O4S — CID 106080460

IUPAC1-(cyclopropylamino)-N-[(3-methoxyoxolan-3-yl)methyl]propane-2-sulfonamide
SMILESCOC1(CNS(=O)(=O)C(C)CNC2CC2)CCOC1
InChIInChI=1S/C12H24N2O4S/c1-10(7-13-11-3-4-11)19(15,16)14-8-12(17-2)5-6-18-9-12/h10-11,13-14H,3-9H2,1-2H3
InChIKeyKICJIYAFSJBYLG-UHFFFAOYSA-N
MW292.40 g/mol
LogP-0.15
Rot. Bonds8

About 1-(cyclopropylamino)-N-[(3-methoxyoxolan-3-yl)methyl]propane-2-sulfonamide

1-(cyclopropylamino)-N-[(3-methoxyoxolan-3-yl)methyl]propane-2-sulfonamide (PubChem CID 106080460) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-(cyclopropylamino)-N-[(3-methoxyoxolan-3-yl)methyl]propane-2-sulfonamide.

Molecular Properties

Compound Name1-(cyclopropylamino)-N-[(3-methoxyoxolan-3-yl)methyl]propane-2-sulfonamide
PubChem CID106080460
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name1-(cyclopropylamino)-N-[(3-methoxyoxolan-3-yl)methyl]propane-2-sulfonamide
SMILESCOC1(CNS(=O)(=O)C(C)CNC2CC2)CCOC1
InChIInChI=1S/C12H24N2O4S/c1-10(7-13-11-3-4-11)19(15,16)14-8-12(17-2)5-6-18-9-12/h10-11,13-14H,3-9H2,1-2H3
InChIKeyKICJIYAFSJBYLG-UHFFFAOYSA-N
XLogP-0.15
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-[(3-methoxyoxolan-3-yl)methyl]propane-2-sulfonamide
CID 104759974
4-N-[(3-methoxyoxolan-3-yl)methyl]cyclohexane-1,4-diamine
CID 104759812
N-[(3-methoxyoxolan-3-yl)methyl]-3-methylsulfonylcyclohexan-1-amine
CID 104760803
1-(cyclopropylamino)-N-(3-methylbutyl)propane-2-sulfonamide
CID 106059038
N-[(3-methoxyoxolan-3-yl)methyl]-2-methylbutan-1-amine
CID 104705079
1-(cyclopropylamino)-N-(5-methoxypentyl)propane-2-sulfonamide
CID 106092684
2-ethylsulfonyl-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine
CID 104760821
2-amino-3-[(3-methoxyoxolan-3-yl)methylamino]propanamide
CID 103266375
tert-butyl 3-[(3-methoxyoxolan-3-yl)methylamino]pyrrolidine-1-carboxylate
CID 104705076
N-[(3-methoxyoxolan-3-yl)methyl]-1-(oxan-4-yl)methanamine
CID 104704975
1-hydroxy-N-[(1-methoxycyclobutyl)methyl]propane-2-sulfonamide
CID 106001112
3-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]butan-2-amine
CID 104705834

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-N-[(3-methoxyoxolan-3-yl)methyl]propane-2-sulfonamide?
The IUPAC name of 1-(cyclopropylamino)-N-[(3-methoxyoxolan-3-yl)methyl]propane-2-sulfonamide (CID 106080460) is 1-(cyclopropylamino)-N-[(3-methoxyoxolan-3-yl)methyl]propane-2-sulfonamide.
What is the SMILES notation for 1-(cyclopropylamino)-N-[(3-methoxyoxolan-3-yl)methyl]propane-2-sulfonamide?
The canonical SMILES for 1-(cyclopropylamino)-N-[(3-methoxyoxolan-3-yl)methyl]propane-2-sulfonamide is COC1(CNS(=O)(=O)C(C)CNC2CC2)CCOC1.
What is the InChIKey of 1-(cyclopropylamino)-N-[(3-methoxyoxolan-3-yl)methyl]propane-2-sulfonamide?
The InChIKey is KICJIYAFSJBYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-10(7-13-11-3-4-11)19(15,16)14-8-12(17-2)5-6-18-9-12/h10-11,13-14H,3-9H2,1-2H3.
What are the key properties of 1-(cyclopropylamino)-N-[(3-methoxyoxolan-3-yl)methyl]propane-2-sulfonamide?
1-(cyclopropylamino)-N-[(3-methoxyoxolan-3-yl)methyl]propane-2-sulfonamide has a molecular weight of 292.40 g/mol, XLogP of -0.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-N-[(3-methoxyoxolan-3-yl)methyl]propane-2-sulfonamide is sourced from PubChem (CID 106080460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).