N-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide

C16H30N4O4S — CID 55607667

IUPACN-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
SMILESCN(CC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1)S(C)(=O)=O
InChIInChI=1S/C16H30N4O4S/c1-17(25(2,23)24)13-15(21)20-11-9-18(10-12-20)14-16(22)19-7-5-3-4-6-8-19/h3-14H2,1-2H3
InChIKeyHOYQFIWLTIRTQL-UHFFFAOYSA-N
MW374.51 g/mol
LogP-0.58
Rot. Bonds5

About N-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide

N-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide (PubChem CID 55607667) has the molecular formula C16H30N4O4S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
PubChem CID55607667
Molecular FormulaC16H30N4O4S
Molecular Weight374.51 g/mol
Exact Mass374.20
IUPAC NameN-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
SMILESCN(CC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1)S(C)(=O)=O
InChIInChI=1S/C16H30N4O4S/c1-17(25(2,23)24)13-15(21)20-11-9-18(10-12-20)14-16(22)19-7-5-3-4-6-8-19/h3-14H2,1-2H3
InChIKeyHOYQFIWLTIRTQL-UHFFFAOYSA-N
XLogP-0.58
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide (CID 55607667) is N-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide is CN(CC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1)S(C)(=O)=O.
What is the InChIKey of N-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
The InChIKey is HOYQFIWLTIRTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O4S/c1-17(25(2,23)24)13-15(21)20-11-9-18(10-12-20)14-16(22)19-7-5-3-4-6-8-19/h3-14H2,1-2H3.
What are the key properties of N-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
N-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide has a molecular weight of 374.51 g/mol, XLogP of -0.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 55607667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).