N-[[1-(aminomethyl)cyclopentyl]methyl]-1-methylsulfonylmethanesulfonamide

C9H20N2O4S2 — CID 82842395

IUPACN-[[1-(aminomethyl)cyclopentyl]methyl]-1-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)CS(=O)(=O)NCC1(CN)CCCC1
InChIInChI=1S/C9H20N2O4S2/c1-16(12,13)8-17(14,15)11-7-9(6-10)4-2-3-5-9/h11H,2-8,10H2,1H3
InChIKeyQXTNTEWSJMAWNA-UHFFFAOYSA-N
MW284.40 g/mol
LogP-0.57
Rot. Bonds6

About N-[[1-(aminomethyl)cyclopentyl]methyl]-1-methylsulfonylmethanesulfonamide

N-[[1-(aminomethyl)cyclopentyl]methyl]-1-methylsulfonylmethanesulfonamide (PubChem CID 82842395) has the molecular formula C9H20N2O4S2 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopentyl]methyl]-1-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopentyl]methyl]-1-methylsulfonylmethanesulfonamide
PubChem CID82842395
Molecular FormulaC9H20N2O4S2
Molecular Weight284.40 g/mol
Exact Mass284.09
IUPAC NameN-[[1-(aminomethyl)cyclopentyl]methyl]-1-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)CS(=O)(=O)NCC1(CN)CCCC1
InChIInChI=1S/C9H20N2O4S2/c1-16(12,13)8-17(14,15)11-7-9(6-10)4-2-3-5-9/h11H,2-8,10H2,1H3
InChIKeyQXTNTEWSJMAWNA-UHFFFAOYSA-N
XLogP-0.57
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-1-methylsulfonylmethanesulfonamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-1-methylsulfonylmethanesulfonamide (CID 82842395) is N-[[1-(aminomethyl)cyclopentyl]methyl]-1-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopentyl]methyl]-1-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopentyl]methyl]-1-methylsulfonylmethanesulfonamide is CS(=O)(=O)CS(=O)(=O)NCC1(CN)CCCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopentyl]methyl]-1-methylsulfonylmethanesulfonamide?
The InChIKey is QXTNTEWSJMAWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S2/c1-16(12,13)8-17(14,15)11-7-9(6-10)4-2-3-5-9/h11H,2-8,10H2,1H3.
What are the key properties of N-[[1-(aminomethyl)cyclopentyl]methyl]-1-methylsulfonylmethanesulfonamide?
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-methylsulfonylmethanesulfonamide has a molecular weight of 284.40 g/mol, XLogP of -0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopentyl]methyl]-1-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 82842395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).