1-(4-aminobutylsulfonyl)-3-methylpyrrolidin-3-ol

C9H20N2O3S — CID 103355768

IUPAC1-(4-aminobutylsulfonyl)-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(S(=O)(=O)CCCCN)C1
InChIInChI=1S/C9H20N2O3S/c1-9(12)4-6-11(8-9)15(13,14)7-3-2-5-10/h12H,2-8,10H2,1H3
InChIKeyGNCINIMVFHGQRT-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.49
Rot. Bonds5

About 1-(4-aminobutylsulfonyl)-3-methylpyrrolidin-3-ol

1-(4-aminobutylsulfonyl)-3-methylpyrrolidin-3-ol (PubChem CID 103355768) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-(4-aminobutylsulfonyl)-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(4-aminobutylsulfonyl)-3-methylpyrrolidin-3-ol
PubChem CID103355768
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name1-(4-aminobutylsulfonyl)-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(S(=O)(=O)CCCCN)C1
InChIInChI=1S/C9H20N2O3S/c1-9(12)4-6-11(8-9)15(13,14)7-3-2-5-10/h12H,2-8,10H2,1H3
InChIKeyGNCINIMVFHGQRT-UHFFFAOYSA-N
XLogP-0.49
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.49
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-[(3R)-3-hydroxy-3,4,4-trimethyl-1-pyrrolidinyl]-N,N-dimethyl-1-propanesulfonamide
CID 72883154
(3S)-1-cyclobutylsulfonyl-3-methylpyrrolidin-3-ol
CID 164634547
1-(1-Aminobutan-2-ylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 112737677
1-(1-Aminopropan-2-ylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 112737678
4,4,4-trifluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylbutane-1-sulfonamide
CID 114759965
4,4,4-trifluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]butane-1-sulfonamide
CID 114760060
N-ethyl-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyrrolidine-3-sulfonamide
CID 132373259
1-(4-Aminobutylsulfonyl)pyrrolidin-3-ol
CID 62941539
1-[2-(Ethylamino)ethylsulfonyl]pyrrolidin-3-ol
CID 62943435
3-[(3-Hydroxy-3-methylbutan-2-yl)amino]propane-1-sulfonamide
CID 65337471
1-(1-Aminopropan-2-ylsulfonyl)pyrrolidin-3-ol
CID 65571070
1-(1-Aminobutan-2-ylsulfonyl)pyrrolidin-3-ol
CID 65571300

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminobutylsulfonyl)-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-(4-aminobutylsulfonyl)-3-methylpyrrolidin-3-ol (CID 103355768) is 1-(4-aminobutylsulfonyl)-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-(4-aminobutylsulfonyl)-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-(4-aminobutylsulfonyl)-3-methylpyrrolidin-3-ol is CC1(O)CCN(S(=O)(=O)CCCCN)C1.
What is the InChIKey of 1-(4-aminobutylsulfonyl)-3-methylpyrrolidin-3-ol?
The InChIKey is GNCINIMVFHGQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-9(12)4-6-11(8-9)15(13,14)7-3-2-5-10/h12H,2-8,10H2,1H3.
What are the key properties of 1-(4-aminobutylsulfonyl)-3-methylpyrrolidin-3-ol?
1-(4-aminobutylsulfonyl)-3-methylpyrrolidin-3-ol has a molecular weight of 236.34 g/mol, XLogP of -0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobutylsulfonyl)-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103355768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).