N-[2-(aminomethyl)cyclopentyl]-1-methylsulfonylmethanesulfonamide

C8H18N2O4S2 — CID 82839453

IUPACN-[2-(aminomethyl)cyclopentyl]-1-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)CS(=O)(=O)NC1CCCC1CN
InChIInChI=1S/C8H18N2O4S2/c1-15(11,12)6-16(13,14)10-8-4-2-3-7(8)5-9/h7-8,10H,2-6,9H2,1H3
InChIKeyCEWHFBRZVIEDSF-UHFFFAOYSA-N
MW270.38 g/mol
LogP-0.96
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-1-methylsulfonylmethanesulfonamide

N-[2-(aminomethyl)cyclopentyl]-1-methylsulfonylmethanesulfonamide (PubChem CID 82839453) has the molecular formula C8H18N2O4S2 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-1-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-1-methylsulfonylmethanesulfonamide
PubChem CID82839453
Molecular FormulaC8H18N2O4S2
Molecular Weight270.38 g/mol
Exact Mass270.07
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-1-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)CS(=O)(=O)NC1CCCC1CN
InChIInChI=1S/C8H18N2O4S2/c1-15(11,12)6-16(13,14)10-8-4-2-3-7(8)5-9/h7-8,10H,2-6,9H2,1H3
InChIKeyCEWHFBRZVIEDSF-UHFFFAOYSA-N
XLogP-0.96
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-methylsulfonylmethanesulfonamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-methylsulfonylmethanesulfonamide (CID 82839453) is N-[2-(aminomethyl)cyclopentyl]-1-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-1-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-1-methylsulfonylmethanesulfonamide is CS(=O)(=O)CS(=O)(=O)NC1CCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-1-methylsulfonylmethanesulfonamide?
The InChIKey is CEWHFBRZVIEDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S2/c1-15(11,12)6-16(13,14)10-8-4-2-3-7(8)5-9/h7-8,10H,2-6,9H2,1H3.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-1-methylsulfonylmethanesulfonamide?
N-[2-(aminomethyl)cyclopentyl]-1-methylsulfonylmethanesulfonamide has a molecular weight of 270.38 g/mol, XLogP of -0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-1-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 82839453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).