N-methyl-2-(oxolan-2-yl)-N-(2-phenylpropyl)ethanesulfonamide

C16H25NO3S — CID 71969848

IUPACN-methyl-2-(oxolan-2-yl)-N-(2-phenylpropyl)ethanesulfonamide
SMILESCC(CN(C)S(=O)(=O)CCC1CCCO1)c1ccccc1
InChIInChI=1S/C16H25NO3S/c1-14(15-7-4-3-5-8-15)13-17(2)21(18,19)12-10-16-9-6-11-20-16/h3-5,7-8,14,16H,6,9-13H2,1-2H3
InChIKeyOSDCDJZNWLSPSJ-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.62
Rot. Bonds7

About N-methyl-2-(oxolan-2-yl)-N-(2-phenylpropyl)ethanesulfonamide

N-methyl-2-(oxolan-2-yl)-N-(2-phenylpropyl)ethanesulfonamide (PubChem CID 71969848) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-methyl-2-(oxolan-2-yl)-N-(2-phenylpropyl)ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-2-(oxolan-2-yl)-N-(2-phenylpropyl)ethanesulfonamide
PubChem CID71969848
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC NameN-methyl-2-(oxolan-2-yl)-N-(2-phenylpropyl)ethanesulfonamide
SMILESCC(CN(C)S(=O)(=O)CCC1CCCO1)c1ccccc1
InChIInChI=1S/C16H25NO3S/c1-14(15-7-4-3-5-8-15)13-17(2)21(18,19)12-10-16-9-6-11-20-16/h3-5,7-8,14,16H,6,9-13H2,1-2H3
InChIKeyOSDCDJZNWLSPSJ-UHFFFAOYSA-N
XLogP2.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(2-methyl-1-pyridin-3-ylpropyl)-2-(oxolan-2-yl)ethanesulfonamide
CID 75380712
(2R)-2-[methyl-[(2S)-2-phenylpropyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 129432264
N-methyl-2-[(2R)-oxolan-2-yl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]ethanesulfonamide
CID 124856489
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylpropan-1-amine
CID 40654008
N-(oxolan-2-ylmethyl)-2-phenylpropan-1-amine
CID 3366630
N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-[(2R)-oxolan-2-yl]ethanesulfonamide
CID 129424141
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
CID 65163698
3-[(2S)-oxolan-2-yl]-N-[(3R)-3-phenylbutyl]propanamide
CID 94821729
2-(7-phenyloctyl)oxetane
CID 173415617
N,N-dimethyl-N'-(oxolan-2-ylmethyl)-1-phenylethane-1,2-diamine
CID 78914378
2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]-1-phenylpropan-1-one
CID 62613157
(3S)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122235

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(oxolan-2-yl)-N-(2-phenylpropyl)ethanesulfonamide?
The IUPAC name of N-methyl-2-(oxolan-2-yl)-N-(2-phenylpropyl)ethanesulfonamide (CID 71969848) is N-methyl-2-(oxolan-2-yl)-N-(2-phenylpropyl)ethanesulfonamide.
What is the SMILES notation for N-methyl-2-(oxolan-2-yl)-N-(2-phenylpropyl)ethanesulfonamide?
The canonical SMILES for N-methyl-2-(oxolan-2-yl)-N-(2-phenylpropyl)ethanesulfonamide is CC(CN(C)S(=O)(=O)CCC1CCCO1)c1ccccc1.
What is the InChIKey of N-methyl-2-(oxolan-2-yl)-N-(2-phenylpropyl)ethanesulfonamide?
The InChIKey is OSDCDJZNWLSPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-14(15-7-4-3-5-8-15)13-17(2)21(18,19)12-10-16-9-6-11-20-16/h3-5,7-8,14,16H,6,9-13H2,1-2H3.
What are the key properties of N-methyl-2-(oxolan-2-yl)-N-(2-phenylpropyl)ethanesulfonamide?
N-methyl-2-(oxolan-2-yl)-N-(2-phenylpropyl)ethanesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(oxolan-2-yl)-N-(2-phenylpropyl)ethanesulfonamide is sourced from PubChem (CID 71969848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).