1-[1-[[2-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine

C15H25N3O2S — CID 62886268

IUPAC1-[1-[[2-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCN1S(=O)(=O)Cc1ccccc1CN
InChIInChI=1S/C15H25N3O2S/c1-17(2)11-15-8-5-9-18(15)21(19,20)12-14-7-4-3-6-13(14)10-16/h3-4,6-7,15H,5,8-12,16H2,1-2H3
InChIKeyRLLCBAYKTPCJTB-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.00
Rot. Bonds6

About 1-[1-[[2-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine

1-[1-[[2-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine (PubChem CID 62886268) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 1-[1-[[2-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-[[2-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
PubChem CID62886268
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name1-[1-[[2-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCN1S(=O)(=O)Cc1ccccc1CN
InChIInChI=1S/C15H25N3O2S/c1-17(2)11-15-8-5-9-18(15)21(19,20)12-14-7-4-3-6-13(14)10-16/h3-4,6-7,15H,5,8-12,16H2,1-2H3
InChIKeyRLLCBAYKTPCJTB-UHFFFAOYSA-N
XLogP1.00
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4,4-dimethylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine
CID 62937783
[2-[(4-methylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine;hydrochloride
CID 71757298
[1-[(2-chlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine;hydrochloride
CID 119969227
1-[2-(aminomethyl)phenyl]-N-[(1-methylpyrrolidin-2-yl)methyl]methanesulfonamide
CID 106024265
2-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzenesulfonamide
CID 79308982
[4-[(2-ethylpyrrolidin-1-yl)sulfonylmethyl]phenyl]methanamine
CID 54885835
[1-[(2-aminophenyl)methylsulfonyl]azepan-2-yl]methanol
CID 116633902
1-[1-[4-(aminomethyl)-2-fluorophenyl]sulfonylpyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 79179850
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]sulfonyl-5-methylaniline
CID 62885554
1-[2-(aminomethyl)phenyl]-N-(cyclopropylmethyl)-N-methylmethanesulfonamide
CID 54884458
1-[1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62889427
1-[2-(aminomethyl)phenyl]-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide
CID 61446862

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[2-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-[[2-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine (CID 62886268) is 1-[1-[[2-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-[[2-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-[[2-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine is CN(C)CC1CCCN1S(=O)(=O)Cc1ccccc1CN.
What is the InChIKey of 1-[1-[[2-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is RLLCBAYKTPCJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-17(2)11-15-8-5-9-18(15)21(19,20)12-14-7-4-3-6-13(14)10-16/h3-4,6-7,15H,5,8-12,16H2,1-2H3.
What are the key properties of 1-[1-[[2-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
1-[1-[[2-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 311.45 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[2-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 62886268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).