N-[1-(azepan-1-yl)-1-oxopropan-2-yl]methanesulfonamide

C10H20N2O3S — CID 47404021

IUPACN-[1-(azepan-1-yl)-1-oxopropan-2-yl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)C(=O)N1CCCCCC1
InChIInChI=1S/C10H20N2O3S/c1-9(11-16(2,14)15)10(13)12-7-5-3-4-6-8-12/h9,11H,3-8H2,1-2H3
InChIKeyUONNNTXUFJOKHN-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.33
Rot. Bonds3

About N-[1-(azepan-1-yl)-1-oxopropan-2-yl]methanesulfonamide

N-[1-(azepan-1-yl)-1-oxopropan-2-yl]methanesulfonamide (PubChem CID 47404021) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-[1-(azepan-1-yl)-1-oxopropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(azepan-1-yl)-1-oxopropan-2-yl]methanesulfonamide
PubChem CID47404021
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC NameN-[1-(azepan-1-yl)-1-oxopropan-2-yl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)C(=O)N1CCCCCC1
InChIInChI=1S/C10H20N2O3S/c1-9(11-16(2,14)15)10(13)12-7-5-3-4-6-8-12/h9,11H,3-8H2,1-2H3
InChIKeyUONNNTXUFJOKHN-UHFFFAOYSA-N
XLogP0.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(azepan-1-yl)-1-oxopropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-(azepan-1-yl)-1-oxopropan-2-yl]methanesulfonamide (CID 47404021) is N-[1-(azepan-1-yl)-1-oxopropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(azepan-1-yl)-1-oxopropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-(azepan-1-yl)-1-oxopropan-2-yl]methanesulfonamide is CC(NS(C)(=O)=O)C(=O)N1CCCCCC1.
What is the InChIKey of N-[1-(azepan-1-yl)-1-oxopropan-2-yl]methanesulfonamide?
The InChIKey is UONNNTXUFJOKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-9(11-16(2,14)15)10(13)12-7-5-3-4-6-8-12/h9,11H,3-8H2,1-2H3.
What are the key properties of N-[1-(azepan-1-yl)-1-oxopropan-2-yl]methanesulfonamide?
N-[1-(azepan-1-yl)-1-oxopropan-2-yl]methanesulfonamide has a molecular weight of 248.35 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(azepan-1-yl)-1-oxopropan-2-yl]methanesulfonamide is sourced from PubChem (CID 47404021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).