3-amino-N-(2-methoxyethyl)-3-propan-2-ylazetidine-1-sulfonamide

C9H21N3O3S — CID 114816760

IUPAC3-amino-N-(2-methoxyethyl)-3-propan-2-ylazetidine-1-sulfonamide
SMILESCOCCNS(=O)(=O)N1CC(N)(C(C)C)C1
InChIInChI=1S/C9H21N3O3S/c1-8(2)9(10)6-12(7-9)16(13,14)11-4-5-15-3/h8,11H,4-7,10H2,1-3H3
InChIKeyURWZVQINEXJJGU-UHFFFAOYSA-N
MW251.35 g/mol
LogP-0.86
Rot. Bonds6

About 3-amino-N-(2-methoxyethyl)-3-propan-2-ylazetidine-1-sulfonamide

3-amino-N-(2-methoxyethyl)-3-propan-2-ylazetidine-1-sulfonamide (PubChem CID 114816760) has the molecular formula C9H21N3O3S and a molecular weight of 251.35 g/mol. Its IUPAC name is 3-amino-N-(2-methoxyethyl)-3-propan-2-ylazetidine-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-methoxyethyl)-3-propan-2-ylazetidine-1-sulfonamide
PubChem CID114816760
Molecular FormulaC9H21N3O3S
Molecular Weight251.35 g/mol
Exact Mass251.13
IUPAC Name3-amino-N-(2-methoxyethyl)-3-propan-2-ylazetidine-1-sulfonamide
SMILESCOCCNS(=O)(=O)N1CC(N)(C(C)C)C1
InChIInChI=1S/C9H21N3O3S/c1-8(2)9(10)6-12(7-9)16(13,14)11-4-5-15-3/h8,11H,4-7,10H2,1-3H3
InChIKeyURWZVQINEXJJGU-UHFFFAOYSA-N
XLogP-0.86
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-3-propan-2-yl-N-propylazetidine-1-sulfonamide
CID 114812862
N-(2-methoxyethyl)azetidine-1-sulfonamide
CID 164583733
methyl N-(3-amino-3-propan-2-ylazetidin-1-yl)sulfonylcarbamate
CID 114467044
3-(1-aminoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
CID 114816244
3-amino-N-(2-methoxyethyl)-4-methylpyrrolidine-1-sulfonamide
CID 103576440
2-(1-aminoethyl)-N-(2-methoxyethyl)morpholine-4-sulfonamide
CID 114816234
3-ethyl-1-(2-methoxyethylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 114814580
(3S)-N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide
CID 94063829
(3R)-N-(2-methoxyethyl)-3-methylpiperazine-1-sulfonamide
CID 104978727
4-(ethylamino)-N-(2-methoxyethyl)piperidine-1-sulfonamide
CID 114813693
N-(3-methoxypropyl)pyrrolidine-1-sulfonamide
CID 110705733
4-(1-cyanopropyl)-N-(2-methoxyethyl)piperazine-1-sulfonamide
CID 114815136

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methoxyethyl)-3-propan-2-ylazetidine-1-sulfonamide?
The IUPAC name of 3-amino-N-(2-methoxyethyl)-3-propan-2-ylazetidine-1-sulfonamide (CID 114816760) is 3-amino-N-(2-methoxyethyl)-3-propan-2-ylazetidine-1-sulfonamide.
What is the SMILES notation for 3-amino-N-(2-methoxyethyl)-3-propan-2-ylazetidine-1-sulfonamide?
The canonical SMILES for 3-amino-N-(2-methoxyethyl)-3-propan-2-ylazetidine-1-sulfonamide is COCCNS(=O)(=O)N1CC(N)(C(C)C)C1.
What is the InChIKey of 3-amino-N-(2-methoxyethyl)-3-propan-2-ylazetidine-1-sulfonamide?
The InChIKey is URWZVQINEXJJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O3S/c1-8(2)9(10)6-12(7-9)16(13,14)11-4-5-15-3/h8,11H,4-7,10H2,1-3H3.
What are the key properties of 3-amino-N-(2-methoxyethyl)-3-propan-2-ylazetidine-1-sulfonamide?
3-amino-N-(2-methoxyethyl)-3-propan-2-ylazetidine-1-sulfonamide has a molecular weight of 251.35 g/mol, XLogP of -0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methoxyethyl)-3-propan-2-ylazetidine-1-sulfonamide is sourced from PubChem (CID 114816760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).