N-cycloheptyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide

C15H29N3O3S — CID 113153043

IUPACN-cycloheptyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
SMILESCN1CCN(C(=O)CN(C2CCCCCC2)S(C)(=O)=O)CC1
InChIInChI=1S/C15H29N3O3S/c1-16-9-11-17(12-10-16)15(19)13-18(22(2,20)21)14-7-5-3-4-6-8-14/h14H,3-13H2,1-2H3
InChIKeyNTNQGAFRODWXPD-UHFFFAOYSA-N
MW331.48 g/mol
LogP0.74
Rot. Bonds4

About N-cycloheptyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide

N-cycloheptyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide (PubChem CID 113153043) has the molecular formula C15H29N3O3S and a molecular weight of 331.48 g/mol. Its IUPAC name is N-cycloheptyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-cycloheptyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
PubChem CID113153043
Molecular FormulaC15H29N3O3S
Molecular Weight331.48 g/mol
Exact Mass331.19
IUPAC NameN-cycloheptyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
SMILESCN1CCN(C(=O)CN(C2CCCCCC2)S(C)(=O)=O)CC1
InChIInChI=1S/C15H29N3O3S/c1-16-9-11-17(12-10-16)15(19)13-18(22(2,20)21)14-7-5-3-4-6-8-14/h14H,3-13H2,1-2H3
InChIKeyNTNQGAFRODWXPD-UHFFFAOYSA-N
XLogP0.74
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(azepan-1-yl)-2-oxoethyl]-N-cycloheptylmethanesulfonamide
CID 113153097
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cyclopentylmethanesulfonamide
CID 113148846
N-cyclopentyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 113148830
N-cyclohexyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113149024
N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclopropylmethanesulfonamide
CID 113147930
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cyclopropylmethanesulfonamide
CID 113147863
N-cyclopropyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113147861
ethyl 4-[[2-(azepan-1-yl)-2-oxoethyl]-methylsulfonylamino]piperidine-1-carboxylate
CID 113152678
N-cyclohexyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]methanesulfonamide
CID 113149044
2-[cyclohexyl(methylsulfonyl)amino]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 99967374
N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N-cyclohexylmethanesulfonamide
CID 1021987
N-cyclopentyl-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113148905

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-cycloheptyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide (CID 113153043) is N-cycloheptyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-cycloheptyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-cycloheptyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide is CN1CCN(C(=O)CN(C2CCCCCC2)S(C)(=O)=O)CC1.
What is the InChIKey of N-cycloheptyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide?
The InChIKey is NTNQGAFRODWXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3S/c1-16-9-11-17(12-10-16)15(19)13-18(22(2,20)21)14-7-5-3-4-6-8-14/h14H,3-13H2,1-2H3.
What are the key properties of N-cycloheptyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide?
N-cycloheptyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide has a molecular weight of 331.48 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 113153043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).