2-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-N-methylpropan-1-amine

C10H22N2O4S — CID 103541594

IUPAC2-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-N-methylpropan-1-amine
SMILESCNCC(C)S(=O)(=O)N1CC(OC)C(OC)C1
InChIInChI=1S/C10H22N2O4S/c1-8(5-11-2)17(13,14)12-6-9(15-3)10(7-12)16-4/h8-11H,5-7H2,1-4H3
InChIKeyHNIIJSJIYUDUBY-UHFFFAOYSA-N
MW266.36 g/mol
LogP-0.73
Rot. Bonds6

About 2-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-N-methylpropan-1-amine

2-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-N-methylpropan-1-amine (PubChem CID 103541594) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-N-methylpropan-1-amine
PubChem CID103541594
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Name2-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-N-methylpropan-1-amine
SMILESCNCC(C)S(=O)(=O)N1CC(OC)C(OC)C1
InChIInChI=1S/C10H22N2O4S/c1-8(5-11-2)17(13,14)12-6-9(15-3)10(7-12)16-4/h8-11H,5-7H2,1-4H3
InChIKeyHNIIJSJIYUDUBY-UHFFFAOYSA-N
XLogP-0.73
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4S)-4-methoxypyrrolidin-3-yl]-2-propan-2-yloxyethanesulfonamide
CID 79594310
1-[(3S)-3-fluorobutyl]sulfonyl-3-(2-methoxyethoxy)pyrrolidine
CID 166304805
Pyrrolidin-3-yl pentane-1-sulfonate
CID 88805286
N-(2-methoxyethyl)-3-pyrrolidin-1-ylsulfonylpropan-1-amine
CID 91807460
3-(2-Methoxybutylamino)propane-1-sulfonate
CID 123193952
4-Methoxy-3-pyrrolidinesulfonamide
CID 131182574
1-ethyl-4-methoxy-N-methylpyrrolidine-3-sulfonamide
CID 137403122
4-Methoxy-1-methylpyrrolidine-3-sulfonamide;4-methoxypyrrolidine-3-sulfonamide
CID 158815726
1-Ethyl-4-methoxypyrrolidine-3-sulfonamide;4-methoxypyrrolidine-3-sulfonamide
CID 161768302
2-[(2R)-2-[(2S)-1-methoxypropan-2-yl]oxy-3-propan-2-yloxypropyl]-1,2-thiazolidine 1,1-dioxide
CID 169883180
N-[(4S)-4-methoxypyrrolidin-3-yl]propane-1-sulfonamide
CID 43597260
N-[(4S)-4-methoxypyrrolidin-3-yl]butane-1-sulfonamide
CID 43597262

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-N-methylpropan-1-amine?
The IUPAC name of 2-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-N-methylpropan-1-amine (CID 103541594) is 2-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-N-methylpropan-1-amine.
What is the SMILES notation for 2-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-N-methylpropan-1-amine?
The canonical SMILES for 2-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-N-methylpropan-1-amine is CNCC(C)S(=O)(=O)N1CC(OC)C(OC)C1.
What is the InChIKey of 2-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-N-methylpropan-1-amine?
The InChIKey is HNIIJSJIYUDUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-8(5-11-2)17(13,14)12-6-9(15-3)10(7-12)16-4/h8-11H,5-7H2,1-4H3.
What are the key properties of 2-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-N-methylpropan-1-amine?
2-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-N-methylpropan-1-amine has a molecular weight of 266.36 g/mol, XLogP of -0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-N-methylpropan-1-amine is sourced from PubChem (CID 103541594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).