N-[1-(aminomethyl)cycloheptyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide

C14H28N2O3S — CID 63246742

IUPACN-[1-(aminomethyl)cycloheptyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide
SMILESCN(C1(CN)CCCCCC1)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C14H28N2O3S/c1-16(14(12-15)8-4-2-3-5-9-14)20(17,18)11-13-7-6-10-19-13/h13H,2-12,15H2,1H3
InChIKeyIDTOYEPECSICNC-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.48
Rot. Bonds5

About N-[1-(aminomethyl)cycloheptyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide

N-[1-(aminomethyl)cycloheptyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 63246742) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[1-(aminomethyl)cycloheptyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cycloheptyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide
PubChem CID63246742
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC NameN-[1-(aminomethyl)cycloheptyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide
SMILESCN(C1(CN)CCCCCC1)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C14H28N2O3S/c1-16(14(12-15)8-4-2-3-5-9-14)20(17,18)11-13-7-6-10-19-13/h13H,2-12,15H2,1H3
InChIKeyIDTOYEPECSICNC-UHFFFAOYSA-N
XLogP1.48
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cycloheptyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cycloheptyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide (CID 63246742) is N-[1-(aminomethyl)cycloheptyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cycloheptyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cycloheptyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide is CN(C1(CN)CCCCCC1)S(=O)(=O)CC1CCCO1.
What is the InChIKey of N-[1-(aminomethyl)cycloheptyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is IDTOYEPECSICNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-16(14(12-15)8-4-2-3-5-9-14)20(17,18)11-13-7-6-10-19-13/h13H,2-12,15H2,1H3.
What are the key properties of N-[1-(aminomethyl)cycloheptyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide?
N-[1-(aminomethyl)cycloheptyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 304.46 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cycloheptyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 63246742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).