N-methyl-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine;hydrochloride

C10H21ClN2O3S — CID 119962995

IUPACN-methyl-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine;hydrochloride
SMILESCNC1CCN(S(=O)(=O)CC2CCCO2)C1.Cl
InChIInChI=1S/C10H20N2O3S.ClH/c1-11-9-4-5-12(7-9)16(13,14)8-10-3-2-6-15-10;/h9-11H,2-8H2,1H3;1H
InChIKeyZBRMNQQPMJZLOO-UHFFFAOYSA-N
MW284.81 g/mol
LogP0.21
Rot. Bonds4

About N-methyl-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine;hydrochloride

N-methyl-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine;hydrochloride (PubChem CID 119962995) has the molecular formula C10H21ClN2O3S and a molecular weight of 284.81 g/mol. Its IUPAC name is N-methyl-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine;hydrochloride
PubChem CID119962995
Molecular FormulaC10H21ClN2O3S
Molecular Weight284.81 g/mol
Exact Mass284.10
IUPAC NameN-methyl-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine;hydrochloride
SMILESCNC1CCN(S(=O)(=O)CC2CCCO2)C1.Cl
InChIInChI=1S/C10H20N2O3S.ClH/c1-11-9-4-5-12(7-9)16(13,14)8-10-3-2-6-15-10;/h9-11H,2-8H2,1H3;1H
InChIKeyZBRMNQQPMJZLOO-UHFFFAOYSA-N
XLogP0.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-1-(oxolan-2-ylmethylsulfonyl)pyrrolidine
CID 80668077
1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine
CID 63247573
1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-ol
CID 63247301
(3R)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine
CID 115301823
3-ethyl-1-(oxolan-2-ylmethylsulfonyl)piperidin-4-amine
CID 81460858
3-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidine
CID 63400894
1-ethylsulfonyl-N-methylpyrrolidin-3-amine
CID 83698131
3-bromo-1-(oxolan-2-ylmethylsulfonyl)piperidine
CID 80677029
1-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]ethanamine;hydrochloride
CID 119974695
1-(oxolan-2-ylmethylsulfonyl)piperazine;hydrochloride
CID 119961556
3-methyl-1-(oxan-2-ylmethylsulfonyl)piperidin-4-amine
CID 119983951
1-(cyclohexylmethylsulfonyl)-N-methylpiperidin-3-amine;hydrochloride
CID 120715396

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine;hydrochloride?
The IUPAC name of N-methyl-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine;hydrochloride (CID 119962995) is N-methyl-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for N-methyl-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for N-methyl-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine;hydrochloride is CNC1CCN(S(=O)(=O)CC2CCCO2)C1.Cl.
What is the InChIKey of N-methyl-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine;hydrochloride?
The InChIKey is ZBRMNQQPMJZLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S.ClH/c1-11-9-4-5-12(7-9)16(13,14)8-10-3-2-6-15-10;/h9-11H,2-8H2,1H3;1H.
What are the key properties of N-methyl-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine;hydrochloride?
N-methyl-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine;hydrochloride has a molecular weight of 284.81 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119962995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).