(2R)-N-[2-(dimethylamino)ethyl]-3-ethoxy-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylpropane-1-sulfonamide

C17H37N3O3S — CID 124886555

IUPAC(2R)-N-[2-(dimethylamino)ethyl]-3-ethoxy-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylpropane-1-sulfonamide
SMILESCCOC[C@@H](C)CS(=O)(=O)N(CCN(C)C)C[C@H]1CCCN1CC
InChIInChI=1S/C17H37N3O3S/c1-6-19-10-8-9-17(19)13-20(12-11-18(4)5)24(21,22)15-16(3)14-23-7-2/h16-17H,6-15H2,1-5H3/t16-,17-/m1/s1
InChIKeyHCVZKYLWCMPNDO-IAGOWNOFSA-N
MW363.57 g/mol
LogP1.34
Rot. Bonds12

About (2R)-N-[2-(dimethylamino)ethyl]-3-ethoxy-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylpropane-1-sulfonamide

(2R)-N-[2-(dimethylamino)ethyl]-3-ethoxy-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylpropane-1-sulfonamide (PubChem CID 124886555) has the molecular formula C17H37N3O3S and a molecular weight of 363.57 g/mol. Its IUPAC name is (2R)-N-[2-(dimethylamino)ethyl]-3-ethoxy-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name(2R)-N-[2-(dimethylamino)ethyl]-3-ethoxy-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylpropane-1-sulfonamide
PubChem CID124886555
Molecular FormulaC17H37N3O3S
Molecular Weight363.57 g/mol
Exact Mass363.26
IUPAC Name(2R)-N-[2-(dimethylamino)ethyl]-3-ethoxy-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylpropane-1-sulfonamide
SMILESCCOC[C@@H](C)CS(=O)(=O)N(CCN(C)C)C[C@H]1CCCN1CC
InChIInChI=1S/C17H37N3O3S/c1-6-19-10-8-9-17(19)13-20(12-11-18(4)5)24(21,22)15-16(3)14-23-7-2/h16-17H,6-15H2,1-5H3/t16-,17-/m1/s1
InChIKeyHCVZKYLWCMPNDO-IAGOWNOFSA-N
XLogP1.34
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.57
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 60620479
N-[2-(dimethylamino)ethyl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methylthiophene-2-sulfonamide
CID 52506130
N-[2-(dimethylamino)ethyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methylthiophene-2-sulfonamide
CID 52506128
3-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-N-methylbutane-1,3-diamine
CID 79302990
3-cyano-N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 51132572
3-acetyl-N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 60620769
3-[(1-ethylpyrrolidin-2-yl)methoxy]-N,N-dimethylpropan-1-amine
CID 70887236
2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 60620794
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-ethoxypropan-2-ol
CID 63931720
ethyl 2-amino-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpentanoate
CID 79309508
3-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-N-methyl-1-N-propan-2-ylbutane-1,3-diamine
CID 79312939
2-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide
CID 107905439

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(dimethylamino)ethyl]-3-ethoxy-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylpropane-1-sulfonamide?
The IUPAC name of (2R)-N-[2-(dimethylamino)ethyl]-3-ethoxy-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylpropane-1-sulfonamide (CID 124886555) is (2R)-N-[2-(dimethylamino)ethyl]-3-ethoxy-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylpropane-1-sulfonamide.
What is the SMILES notation for (2R)-N-[2-(dimethylamino)ethyl]-3-ethoxy-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylpropane-1-sulfonamide?
The canonical SMILES for (2R)-N-[2-(dimethylamino)ethyl]-3-ethoxy-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylpropane-1-sulfonamide is CCOC[C@@H](C)CS(=O)(=O)N(CCN(C)C)C[C@H]1CCCN1CC.
What is the InChIKey of (2R)-N-[2-(dimethylamino)ethyl]-3-ethoxy-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylpropane-1-sulfonamide?
The InChIKey is HCVZKYLWCMPNDO-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H37N3O3S/c1-6-19-10-8-9-17(19)13-20(12-11-18(4)5)24(21,22)15-16(3)14-23-7-2/h16-17H,6-15H2,1-5H3/t16-,17-/m1/s1.
What are the key properties of (2R)-N-[2-(dimethylamino)ethyl]-3-ethoxy-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylpropane-1-sulfonamide?
(2R)-N-[2-(dimethylamino)ethyl]-3-ethoxy-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylpropane-1-sulfonamide has a molecular weight of 363.57 g/mol, XLogP of 1.34, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(dimethylamino)ethyl]-3-ethoxy-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 124886555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).