3-(1-aminopropyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide

C14H22N2O3S — CID 82739201

IUPAC3-(1-aminopropyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
SMILESCCC(N)c1cccc(S(=O)(=O)N(C)C2CCOC2)c1
InChIInChI=1S/C14H22N2O3S/c1-3-14(15)11-5-4-6-13(9-11)20(17,18)16(2)12-7-8-19-10-12/h4-6,9,12,14H,3,7-8,10,15H2,1-2H3
InChIKeyHYIXNXMMPNKVJA-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.51
Rot. Bonds5

About 3-(1-aminopropyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide

3-(1-aminopropyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide (PubChem CID 82739201) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-(1-aminopropyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(1-aminopropyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
PubChem CID82739201
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-(1-aminopropyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
SMILESCCC(N)c1cccc(S(=O)(=O)N(C)C2CCOC2)c1
InChIInChI=1S/C14H22N2O3S/c1-3-14(15)11-5-4-6-13(9-11)20(17,18)16(2)12-7-8-19-10-12/h4-6,9,12,14H,3,7-8,10,15H2,1-2H3
InChIKeyHYIXNXMMPNKVJA-UHFFFAOYSA-N
XLogP1.51
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-aminoethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82739570
N-methyl-3-[1-(methylamino)propyl]-N-(oxolan-3-yl)benzenesulfonamide
CID 82737506
N-methyl-N-(oxolan-3-yl)-3-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 82748703
3-(1-aminopropyl)-N-butan-2-yl-N-methylbenzenesulfonamide
CID 60872474
2-amino-N-methyl-N-(oxolan-3-yl)pyridine-4-sulfonamide
CID 82743975
3-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82748496
3-(1-aminoethyl)-N-cyclopropyl-N-methylbenzenesulfonamide
CID 43265234
3-(1-aminopropyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 115986124
4-amino-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82741535
3-(1-aminoethyl)-N-cyclopentyl-N-methylbenzenesulfonamide
CID 43267394
4-(1-hydroxyethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82748017
3-(1-aminopropyl)-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61429113

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminopropyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide?
The IUPAC name of 3-(1-aminopropyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide (CID 82739201) is 3-(1-aminopropyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-(1-aminopropyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 3-(1-aminopropyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide is CCC(N)c1cccc(S(=O)(=O)N(C)C2CCOC2)c1.
What is the InChIKey of 3-(1-aminopropyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide?
The InChIKey is HYIXNXMMPNKVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-14(15)11-5-4-6-13(9-11)20(17,18)16(2)12-7-8-19-10-12/h4-6,9,12,14H,3,7-8,10,15H2,1-2H3.
What are the key properties of 3-(1-aminopropyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide?
3-(1-aminopropyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopropyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 82739201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).