[1-(4-ethylsulfonylpiperazin-1-yl)cycloheptyl]methanamine

C14H29N3O2S — CID 58561674

IUPAC[1-(4-ethylsulfonylpiperazin-1-yl)cycloheptyl]methanamine
SMILESCCS(=O)(=O)N1CCN(C2(CN)CCCCCC2)CC1
InChIInChI=1S/C14H29N3O2S/c1-2-20(18,19)17-11-9-16(10-12-17)14(13-15)7-5-3-4-6-8-14/h2-13,15H2,1H3
InChIKeyKLYBXIJTKVPULW-UHFFFAOYSA-N
MW303.47 g/mol
LogP1.01
Rot. Bonds4

About [1-(4-ethylsulfonylpiperazin-1-yl)cycloheptyl]methanamine

[1-(4-ethylsulfonylpiperazin-1-yl)cycloheptyl]methanamine (PubChem CID 58561674) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is [1-(4-ethylsulfonylpiperazin-1-yl)cycloheptyl]methanamine.

Molecular Properties

Compound Name[1-(4-ethylsulfonylpiperazin-1-yl)cycloheptyl]methanamine
PubChem CID58561674
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC Name[1-(4-ethylsulfonylpiperazin-1-yl)cycloheptyl]methanamine
SMILESCCS(=O)(=O)N1CCN(C2(CN)CCCCCC2)CC1
InChIInChI=1S/C14H29N3O2S/c1-2-20(18,19)17-11-9-16(10-12-17)14(13-15)7-5-3-4-6-8-14/h2-13,15H2,1H3
InChIKeyKLYBXIJTKVPULW-UHFFFAOYSA-N
XLogP1.01
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-({1-[ethyl(methyl)amino]cyclohexyl}methyl)-2-methylpropane-1-sulfonamide
CID 131936428
N-[1-(aminomethyl)cycloheptyl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide
CID 83048545
[1-(4-Propylsulfonylpiperazin-1-yl)cyclopentyl]methanamine
CID 58561678
[1-(4-Propylsulfonylpiperazin-1-yl)cyclohexyl]methanamine
CID 58561727
[1-(4-Propylsulfonylpiperazin-1-yl)cycloheptyl]methanamine
CID 58561780
[1-[4-(Cyclopropylmethylsulfonyl)piperazin-1-yl]cycloheptyl]methanamine
CID 58561904
1-(4-Propylsulfonylpiperazin-1-yl)cycloheptane-1-carbonitrile
CID 58561966
N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]methanesulfonamide
CID 59088747
1-(1-Ethylcycloheptyl)-4-ethylsulfonylpiperazine
CID 117906325
[1-(4-Methylsulfonylpiperazin-1-yl)cycloundecyl]methanamine
CID 123495242
1-(3-Methyloctan-3-yl)-4-methylsulfonylpiperazine
CID 139318540
N-[1-(piperidin-1-ylmethyl)cyclopentyl]ethanesulfonamide
CID 153973793

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethylsulfonylpiperazin-1-yl)cycloheptyl]methanamine?
The IUPAC name of [1-(4-ethylsulfonylpiperazin-1-yl)cycloheptyl]methanamine (CID 58561674) is [1-(4-ethylsulfonylpiperazin-1-yl)cycloheptyl]methanamine.
What is the SMILES notation for [1-(4-ethylsulfonylpiperazin-1-yl)cycloheptyl]methanamine?
The canonical SMILES for [1-(4-ethylsulfonylpiperazin-1-yl)cycloheptyl]methanamine is CCS(=O)(=O)N1CCN(C2(CN)CCCCCC2)CC1.
What is the InChIKey of [1-(4-ethylsulfonylpiperazin-1-yl)cycloheptyl]methanamine?
The InChIKey is KLYBXIJTKVPULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-2-20(18,19)17-11-9-16(10-12-17)14(13-15)7-5-3-4-6-8-14/h2-13,15H2,1H3.
What are the key properties of [1-(4-ethylsulfonylpiperazin-1-yl)cycloheptyl]methanamine?
[1-(4-ethylsulfonylpiperazin-1-yl)cycloheptyl]methanamine has a molecular weight of 303.47 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethylsulfonylpiperazin-1-yl)cycloheptyl]methanamine is sourced from PubChem (CID 58561674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).