1-(oxolan-2-yl)-N-[3-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide

C15H24N2O3S — CID 106911397

IUPAC1-(oxolan-2-yl)-N-[3-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide
SMILESCC(C)NCc1cccc(NS(=O)(=O)CC2CCCO2)c1
InChIInChI=1S/C15H24N2O3S/c1-12(2)16-10-13-5-3-6-14(9-13)17-21(18,19)11-15-7-4-8-20-15/h3,5-6,9,12,15-17H,4,7-8,10-11H2,1-2H3
InChIKeyBTLCEYXCXKKAEV-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.11
Rot. Bonds7

About 1-(oxolan-2-yl)-N-[3-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide

1-(oxolan-2-yl)-N-[3-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide (PubChem CID 106911397) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-[3-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-[3-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide
PubChem CID106911397
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name1-(oxolan-2-yl)-N-[3-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide
SMILESCC(C)NCc1cccc(NS(=O)(=O)CC2CCCO2)c1
InChIInChI=1S/C15H24N2O3S/c1-12(2)16-10-13-5-3-6-14(9-13)17-21(18,19)11-15-7-4-8-20-15/h3,5-6,9,12,15-17H,4,7-8,10-11H2,1-2H3
InChIKeyBTLCEYXCXKKAEV-UHFFFAOYSA-N
XLogP2.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(chloromethyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide
CID 65033474
N-(3-cyanophenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247332
N-(4-amino-3-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246840
N-[[3-(bromomethyl)phenyl]methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 114298048
N-[[3-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenyl]methyl]propan-2-amine
CID 62436952
3,3-dimethyl-N-[3-[(propan-2-ylamino)methyl]phenyl]butane-1-sulfonamide
CID 106911409
N-[3-[(cyclopropylamino)methyl]phenyl]-2-methylpropane-1-sulfonamide
CID 106911358
N-[[3-(oxan-2-ylmethylsulfanyl)phenyl]methyl]propan-2-amine
CID 66349440
2-methyl-3-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide
CID 63247225
4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide
CID 63247383
2-[4-(oxolan-2-ylmethylsulfonylamino)phenyl]acetic acid
CID 63246519
N-[2-(methylaminomethyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63247176

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-N-[3-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide?
The IUPAC name of 1-(oxolan-2-yl)-N-[3-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide (CID 106911397) is 1-(oxolan-2-yl)-N-[3-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide.
What is the SMILES notation for 1-(oxolan-2-yl)-N-[3-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide?
The canonical SMILES for 1-(oxolan-2-yl)-N-[3-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide is CC(C)NCc1cccc(NS(=O)(=O)CC2CCCO2)c1.
What is the InChIKey of 1-(oxolan-2-yl)-N-[3-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide?
The InChIKey is BTLCEYXCXKKAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12(2)16-10-13-5-3-6-14(9-13)17-21(18,19)11-15-7-4-8-20-15/h3,5-6,9,12,15-17H,4,7-8,10-11H2,1-2H3.
What are the key properties of 1-(oxolan-2-yl)-N-[3-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide?
1-(oxolan-2-yl)-N-[3-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-N-[3-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 106911397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).