N-methyl-1-[1-(2-methylsulfonylethylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride

C9H21ClN2O4S2 — CID 119991282

IUPACN-methyl-1-[1-(2-methylsulfonylethylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride
SMILESCNCC1CCCN1S(=O)(=O)CCS(C)(=O)=O.Cl
InChIInChI=1S/C9H20N2O4S2.ClH/c1-10-8-9-4-3-5-11(9)17(14,15)7-6-16(2,12)13;/h9-10H,3-8H2,1-2H3;1H
InChIKeyBCXDHQQBWPKGNM-UHFFFAOYSA-N
MW320.86 g/mol
LogP-0.53
Rot. Bonds6

About N-methyl-1-[1-(2-methylsulfonylethylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride

N-methyl-1-[1-(2-methylsulfonylethylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride (PubChem CID 119991282) has the molecular formula C9H21ClN2O4S2 and a molecular weight of 320.86 g/mol. Its IUPAC name is N-methyl-1-[1-(2-methylsulfonylethylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[1-(2-methylsulfonylethylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride
PubChem CID119991282
Molecular FormulaC9H21ClN2O4S2
Molecular Weight320.86 g/mol
Exact Mass320.06
IUPAC NameN-methyl-1-[1-(2-methylsulfonylethylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride
SMILESCNCC1CCCN1S(=O)(=O)CCS(C)(=O)=O.Cl
InChIInChI=1S/C9H20N2O4S2.ClH/c1-10-8-9-4-3-5-11(9)17(14,15)7-6-16(2,12)13;/h9-10H,3-8H2,1-2H3;1H
InChIKeyBCXDHQQBWPKGNM-UHFFFAOYSA-N
XLogP-0.53
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.86
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(3-methoxypropylsulfonyl)pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119991078
3-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylpropanoic acid
CID 115316475
1-[1-(2-cyclopropylethylsulfonyl)piperidin-2-yl]-N-methylmethanamine
CID 112746994
4-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylbutanoic acid
CID 113285289
N-methyl-1-[1-(2-thiophen-2-ylethylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 120875472
1-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylmethanamine;hydrochloride
CID 119991099
2-[1-(2-methylsulfonylethylsulfonyl)piperidin-2-yl]acetic acid
CID 63245000
1-[1-[(3,5-dichlorophenyl)methylsulfonyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 119990947
N-methyl-1-[1-(3-methylsulfonylpropyl)piperidin-2-yl]methanamine
CID 63191742
N-methyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119991169
methyl N-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylcarbamate
CID 114465274
2-(methylaminomethyl)-N-piperidin-1-ylpiperidine-1-sulfonamide
CID 106075380

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-methylsulfonylethylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride?
The IUPAC name of N-methyl-1-[1-(2-methylsulfonylethylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride (CID 119991282) is N-methyl-1-[1-(2-methylsulfonylethylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-[1-(2-methylsulfonylethylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-[1-(2-methylsulfonylethylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride is CNCC1CCCN1S(=O)(=O)CCS(C)(=O)=O.Cl.
What is the InChIKey of N-methyl-1-[1-(2-methylsulfonylethylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride?
The InChIKey is BCXDHQQBWPKGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S2.ClH/c1-10-8-9-4-3-5-11(9)17(14,15)7-6-16(2,12)13;/h9-10H,3-8H2,1-2H3;1H.
What are the key properties of N-methyl-1-[1-(2-methylsulfonylethylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride?
N-methyl-1-[1-(2-methylsulfonylethylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride has a molecular weight of 320.86 g/mol, XLogP of -0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-methylsulfonylethylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 119991282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).