(3-methyl-1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride

C9H21ClN2O2S — CID 120778075

IUPAC(3-methyl-1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
SMILESCCCS(=O)(=O)N1CCC(C)(CN)C1.Cl
InChIInChI=1S/C9H20N2O2S.ClH/c1-3-6-14(12,13)11-5-4-9(2,7-10)8-11;/h3-8,10H2,1-2H3;1H
InChIKeyYUQQZXRDPFUTPN-UHFFFAOYSA-N
MW256.80 g/mol
LogP0.82
Rot. Bonds4

About (3-methyl-1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride

(3-methyl-1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride (PubChem CID 120778075) has the molecular formula C9H21ClN2O2S and a molecular weight of 256.80 g/mol. Its IUPAC name is (3-methyl-1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3-methyl-1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
PubChem CID120778075
Molecular FormulaC9H21ClN2O2S
Molecular Weight256.80 g/mol
Exact Mass256.10
IUPAC Name(3-methyl-1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
SMILESCCCS(=O)(=O)N1CCC(C)(CN)C1.Cl
InChIInChI=1S/C9H20N2O2S.ClH/c1-3-6-14(12,13)11-5-4-9(2,7-10)8-11;/h3-8,10H2,1-2H3;1H
InChIKeyYUQQZXRDPFUTPN-UHFFFAOYSA-N
XLogP0.82
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.80
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-ethoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine
CID 120777128
[1-(2-methoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine
CID 120777858
[3-methyl-1-(2-methylpentylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 120777439
3-(aminomethyl)-N-ethyl-3-methylpyrrolidine-1-sulfonamide
CID 120777734
[1-(azepan-1-ylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777813
[3-methyl-1-(2-propylsulfonylethyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 120773462
3-(aminomethyl)-N-ethyl-N,3-dimethylpyrrolidine-1-sulfonamide
CID 120778042
4-(aminomethyl)-4-methylpiperidine-1-sulfonamide
CID 107160182
[3-methyl-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120778281
[1-[(2-fluorophenyl)methylsulfonyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777581
3,3-dimethyl-1-propylsulfonylpiperidin-4-amine;hydrochloride
CID 120779816
3-(aminomethyl)-N,3-dimethyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 120777988

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride?
The IUPAC name of (3-methyl-1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride (CID 120778075) is (3-methyl-1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (3-methyl-1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride?
The canonical SMILES for (3-methyl-1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride is CCCS(=O)(=O)N1CCC(C)(CN)C1.Cl.
What is the InChIKey of (3-methyl-1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride?
The InChIKey is YUQQZXRDPFUTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S.ClH/c1-3-6-14(12,13)11-5-4-9(2,7-10)8-11;/h3-8,10H2,1-2H3;1H.
What are the key properties of (3-methyl-1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride?
(3-methyl-1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride has a molecular weight of 256.80 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 120778075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).