1-butylsulfonylpyrrolidin-3-amine;hydrochloride

C8H19ClN2O2S — CID 119971586

IUPAC1-butylsulfonylpyrrolidin-3-amine;hydrochloride
SMILESCCCCS(=O)(=O)N1CCC(N)C1.Cl
InChIInChI=1S/C8H18N2O2S.ClH/c1-2-3-6-13(11,12)10-5-4-8(9)7-10;/h8H,2-7,9H2,1H3;1H
InChIKeyGNUNMNWFQUGPRG-UHFFFAOYSA-N
MW242.77 g/mol
LogP0.57
Rot. Bonds4

About 1-butylsulfonylpyrrolidin-3-amine;hydrochloride

1-butylsulfonylpyrrolidin-3-amine;hydrochloride (PubChem CID 119971586) has the molecular formula C8H19ClN2O2S and a molecular weight of 242.77 g/mol. Its IUPAC name is 1-butylsulfonylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-butylsulfonylpyrrolidin-3-amine;hydrochloride
PubChem CID119971586
Molecular FormulaC8H19ClN2O2S
Molecular Weight242.77 g/mol
Exact Mass242.09
IUPAC Name1-butylsulfonylpyrrolidin-3-amine;hydrochloride
SMILESCCCCS(=O)(=O)N1CCC(N)C1.Cl
InChIInChI=1S/C8H18N2O2S.ClH/c1-2-3-6-13(11,12)10-5-4-8(9)7-10;/h8H,2-7,9H2,1H3;1H
InChIKeyGNUNMNWFQUGPRG-UHFFFAOYSA-N
XLogP0.57
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.77
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-propylsulfonylpiperidin-3-amine;hydrochloride
CID 119959785
1-(1-butylsulfonylpyrrolidin-3-yl)-N-methylmethanamine
CID 63264016
(3S)-3-amino-N-butyl-N-methylpyrrolidine-1-sulfonamide
CID 115302268
(1-butylsulfonylpiperidin-3-yl)methanol
CID 43589616
1-(1-butylsulfonylpiperidin-3-yl)-N-methylmethanamine;hydrochloride
CID 119960991
(3S)-1-methylsulfonylpyrrolidin-3-amine;hydrochloride
CID 66672546
(3R)-1-(2-methylbutylsulfonyl)pyrrolidin-3-amine
CID 119962777
N-[(1-butylsulfonylpiperidin-4-yl)methyl]ethanamine
CID 63878962
1-butylsulfonylpiperidine-4-carbothioamide
CID 39364305
3-amino-N-methyl-N-propylpyrrolidine-1-sulfonamide;hydrochloride
CID 119971553
3-(1-butylsulfonylpiperidin-4-yl)oxypropan-1-amine;hydrochloride
CID 119992515
1-pentylsulfonylpyrrolidine-3-carboxylic acid
CID 122068573

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-butylsulfonylpyrrolidin-3-amine;hydrochloride (CID 119971586) is 1-butylsulfonylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-butylsulfonylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-butylsulfonylpyrrolidin-3-amine;hydrochloride is CCCCS(=O)(=O)N1CCC(N)C1.Cl.
What is the InChIKey of 1-butylsulfonylpyrrolidin-3-amine;hydrochloride?
The InChIKey is GNUNMNWFQUGPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S.ClH/c1-2-3-6-13(11,12)10-5-4-8(9)7-10;/h8H,2-7,9H2,1H3;1H.
What are the key properties of 1-butylsulfonylpyrrolidin-3-amine;hydrochloride?
1-butylsulfonylpyrrolidin-3-amine;hydrochloride has a molecular weight of 242.77 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119971586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).