1-(2-ethoxyethylsulfonyl)-4-methylpyrrolidin-3-amine;hydrochloride

C9H21ClN2O3S — CID 120585422

IUPAC1-(2-ethoxyethylsulfonyl)-4-methylpyrrolidin-3-amine;hydrochloride
SMILESCCOCCS(=O)(=O)N1CC(C)C(N)C1.Cl
InChIInChI=1S/C9H20N2O3S.ClH/c1-3-14-4-5-15(12,13)11-6-8(2)9(10)7-11;/h8-9H,3-7,10H2,1-2H3;1H
InChIKeyQBIFMRXUIOJPOD-UHFFFAOYSA-N
MW272.80 g/mol
LogP0.05
Rot. Bonds5

About 1-(2-ethoxyethylsulfonyl)-4-methylpyrrolidin-3-amine;hydrochloride

1-(2-ethoxyethylsulfonyl)-4-methylpyrrolidin-3-amine;hydrochloride (PubChem CID 120585422) has the molecular formula C9H21ClN2O3S and a molecular weight of 272.80 g/mol. Its IUPAC name is 1-(2-ethoxyethylsulfonyl)-4-methylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-ethoxyethylsulfonyl)-4-methylpyrrolidin-3-amine;hydrochloride
PubChem CID120585422
Molecular FormulaC9H21ClN2O3S
Molecular Weight272.80 g/mol
Exact Mass272.10
IUPAC Name1-(2-ethoxyethylsulfonyl)-4-methylpyrrolidin-3-amine;hydrochloride
SMILESCCOCCS(=O)(=O)N1CC(C)C(N)C1.Cl
InChIInChI=1S/C9H20N2O3S.ClH/c1-3-14-4-5-15(12,13)11-6-8(2)9(10)7-11;/h8-9H,3-7,10H2,1-2H3;1H
InChIKeyQBIFMRXUIOJPOD-UHFFFAOYSA-N
XLogP0.05
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethoxyethylsulfonyl)piperidin-4-amine;hydrochloride
CID 119959080
4-bromo-1-(2-ethoxyethylsulfonyl)-3-methylpiperidine
CID 114683697
1-but-3-enylsulfonyl-4-methylpyrrolidin-3-amine
CID 120585589
(3R)-1-(2-ethoxyethylsulfonyl)-3-methylpiperazine
CID 104975175
3-amino-N,4-dimethyl-N-propylpyrrolidine-1-sulfonamide;hydrochloride
CID 120585460
1-(2-ethoxyethylsulfonyl)-N-methylpyrrolidin-3-amine
CID 115300302
3-bromo-1-(2-ethoxyethylsulfonyl)piperidine
CID 80677126
1-[1-(2-ethoxyethylsulfonyl)pyrrolidin-3-yl]ethanol
CID 112627567
8-(2-ethoxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 63246896
1-(1-methoxypropan-2-ylsulfonyl)-4-methylpyrrolidin-3-amine
CID 120585494
3-amino-N-(2-methoxyethyl)-4-methylpyrrolidine-1-sulfonamide
CID 103576440
[1-(2-ethoxyethylsulfonyl)-3-methylpyrrolidin-2-yl]methanol
CID 102786449

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethylsulfonyl)-4-methylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-(2-ethoxyethylsulfonyl)-4-methylpyrrolidin-3-amine;hydrochloride (CID 120585422) is 1-(2-ethoxyethylsulfonyl)-4-methylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-(2-ethoxyethylsulfonyl)-4-methylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-(2-ethoxyethylsulfonyl)-4-methylpyrrolidin-3-amine;hydrochloride is CCOCCS(=O)(=O)N1CC(C)C(N)C1.Cl.
What is the InChIKey of 1-(2-ethoxyethylsulfonyl)-4-methylpyrrolidin-3-amine;hydrochloride?
The InChIKey is QBIFMRXUIOJPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S.ClH/c1-3-14-4-5-15(12,13)11-6-8(2)9(10)7-11;/h8-9H,3-7,10H2,1-2H3;1H.
What are the key properties of 1-(2-ethoxyethylsulfonyl)-4-methylpyrrolidin-3-amine;hydrochloride?
1-(2-ethoxyethylsulfonyl)-4-methylpyrrolidin-3-amine;hydrochloride has a molecular weight of 272.80 g/mol, XLogP of 0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethylsulfonyl)-4-methylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120585422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).