N-(2-amino-3-methoxypropyl)-N-methylpyrrolidine-1-sulfonamide

C9H21N3O3S — CID 63765639

IUPACN-(2-amino-3-methoxypropyl)-N-methylpyrrolidine-1-sulfonamide
SMILESCOCC(N)CN(C)S(=O)(=O)N1CCCC1
InChIInChI=1S/C9H21N3O3S/c1-11(7-9(10)8-15-2)16(13,14)12-5-3-4-6-12/h9H,3-8,10H2,1-2H3
InChIKeyOKDWJMYIRHUWQF-UHFFFAOYSA-N
MW251.35 g/mol
LogP-0.77
Rot. Bonds6

About N-(2-amino-3-methoxypropyl)-N-methylpyrrolidine-1-sulfonamide

N-(2-amino-3-methoxypropyl)-N-methylpyrrolidine-1-sulfonamide (PubChem CID 63765639) has the molecular formula C9H21N3O3S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-(2-amino-3-methoxypropyl)-N-methylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-3-methoxypropyl)-N-methylpyrrolidine-1-sulfonamide
PubChem CID63765639
Molecular FormulaC9H21N3O3S
Molecular Weight251.35 g/mol
Exact Mass251.13
IUPAC NameN-(2-amino-3-methoxypropyl)-N-methylpyrrolidine-1-sulfonamide
SMILESCOCC(N)CN(C)S(=O)(=O)N1CCCC1
InChIInChI=1S/C9H21N3O3S/c1-11(7-9(10)8-15-2)16(13,14)12-5-3-4-6-12/h9H,3-8,10H2,1-2H3
InChIKeyOKDWJMYIRHUWQF-UHFFFAOYSA-N
XLogP-0.77
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-4-fluoro-N-(2-methoxyethyl)-N-methyl-2-(methylaminomethyl)pyrrolidine-1-sulfonamide
CID 132399150
N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
CID 60724649
2-(4-Methoxybutan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 173226597
(4S)-3-(dipropylsulfamoylamino)-4-methoxypyrrolidine
CID 43597165
N-[(4S)-4-methoxypyrrolidin-3-yl]pyrrolidine-1-sulfonamide
CID 43597182
(4S)-3-(dimethylsulfamoylamino)-4-methoxypyrrolidine
CID 43597188
(4S)-3-(diethylsulfamoylamino)-4-methoxypyrrolidine
CID 43597190
(4S)-3-[[butyl(methyl)sulfamoyl]amino]-4-methoxypyrrolidine
CID 43597218
N-(2-pyrrolidin-1-ylpropyl)morpholine-4-sulfonamide
CID 51080438
2-[[[Cyclohexyl(methyl)sulfamoyl]amino]methyl]-1-(2-methoxyethyl)pyrrolidine
CID 53551520
2-[[[Butyl(methyl)sulfamoyl]amino]methyl]-1-(2-methoxyethyl)pyrrolidine
CID 53560747
N-ethyl-N-pyrrolidin-3-ylmorpholine-4-sulfonamide
CID 55026840

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-methoxypropyl)-N-methylpyrrolidine-1-sulfonamide?
The IUPAC name of N-(2-amino-3-methoxypropyl)-N-methylpyrrolidine-1-sulfonamide (CID 63765639) is N-(2-amino-3-methoxypropyl)-N-methylpyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(2-amino-3-methoxypropyl)-N-methylpyrrolidine-1-sulfonamide?
The canonical SMILES for N-(2-amino-3-methoxypropyl)-N-methylpyrrolidine-1-sulfonamide is COCC(N)CN(C)S(=O)(=O)N1CCCC1.
What is the InChIKey of N-(2-amino-3-methoxypropyl)-N-methylpyrrolidine-1-sulfonamide?
The InChIKey is OKDWJMYIRHUWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O3S/c1-11(7-9(10)8-15-2)16(13,14)12-5-3-4-6-12/h9H,3-8,10H2,1-2H3.
What are the key properties of N-(2-amino-3-methoxypropyl)-N-methylpyrrolidine-1-sulfonamide?
N-(2-amino-3-methoxypropyl)-N-methylpyrrolidine-1-sulfonamide has a molecular weight of 251.35 g/mol, XLogP of -0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-methoxypropyl)-N-methylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 63765639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).