[1-(3-methylbutylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride

C10H23ClN2O2S — CID 119972217

IUPAC[1-(3-methylbutylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCC(C)CCS(=O)(=O)N1CCC(CN)C1.Cl
InChIInChI=1S/C10H22N2O2S.ClH/c1-9(2)4-6-15(13,14)12-5-3-10(7-11)8-12;/h9-10H,3-8,11H2,1-2H3;1H
InChIKeyPBTNLJFYNGDZAB-UHFFFAOYSA-N
MW270.83 g/mol
LogP1.06
Rot. Bonds5

About [1-(3-methylbutylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride

[1-(3-methylbutylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 119972217) has the molecular formula C10H23ClN2O2S and a molecular weight of 270.83 g/mol. Its IUPAC name is [1-(3-methylbutylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(3-methylbutylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID119972217
Molecular FormulaC10H23ClN2O2S
Molecular Weight270.83 g/mol
Exact Mass270.12
IUPAC Name[1-(3-methylbutylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCC(C)CCS(=O)(=O)N1CCC(CN)C1.Cl
InChIInChI=1S/C10H22N2O2S.ClH/c1-9(2)4-6-15(13,14)12-5-3-10(7-11)8-12;/h9-10H,3-8,11H2,1-2H3;1H
InChIKeyPBTNLJFYNGDZAB-UHFFFAOYSA-N
XLogP1.06
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.83
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-yl]methanamine
CID 79594313
1-(3-methylbutylsulfonyl)piperidin-4-amine
CID 63834728
[1-(3-methylbutylsulfonyl)piperidin-4-yl]methanol
CID 63856417
(1-propan-2-ylsulfonylpyrrolidin-3-yl)methanamine
CID 62064103
3-(aminomethyl)pyrrolidine-1-sulfonamide
CID 114959335
3-[1-(3-methylbutylsulfonyl)piperidin-4-yl]propanoic acid
CID 63855675
(1-ethylsulfonylpiperidin-4-yl)methanamine
CID 28706827
1-[1-(3-methylbutylsulfonyl)piperidin-4-yl]ethanone
CID 63846086
2-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylethanamine
CID 64569912
1-(3-methylbutylsulfonyl)piperidin-3-ol
CID 63856067
N-methyl-1-(3-methylbutylsulfonyl)piperidin-3-amine
CID 63856793
4-(aminomethyl)-N-(4-methylpentyl)piperidine-1-sulfonamide
CID 106016881

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylbutylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-(3-methylbutylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride (CID 119972217) is [1-(3-methylbutylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(3-methylbutylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(3-methylbutylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride is CC(C)CCS(=O)(=O)N1CCC(CN)C1.Cl.
What is the InChIKey of [1-(3-methylbutylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is PBTNLJFYNGDZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S.ClH/c1-9(2)4-6-15(13,14)12-5-3-10(7-11)8-12;/h9-10H,3-8,11H2,1-2H3;1H.
What are the key properties of [1-(3-methylbutylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride?
[1-(3-methylbutylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 270.83 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylbutylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 119972217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).