[1-(4-methylsulfonylpiperazin-1-yl)cycloundecyl]methanamine

C17H35N3O2S — CID 123495242

IUPAC[1-(4-methylsulfonylpiperazin-1-yl)cycloundecyl]methanamine
SMILESCS(=O)(=O)N1CCN(C2(CN)CCCCCCCCCC2)CC1
InChIInChI=1S/C17H35N3O2S/c1-23(21,22)20-14-12-19(13-15-20)17(16-18)10-8-6-4-2-3-5-7-9-11-17/h2-16,18H2,1H3
InChIKeyFNSKHLIVQQOANO-UHFFFAOYSA-N
MW345.55 g/mol
LogP2.18
Rot. Bonds3

About [1-(4-methylsulfonylpiperazin-1-yl)cycloundecyl]methanamine

[1-(4-methylsulfonylpiperazin-1-yl)cycloundecyl]methanamine (PubChem CID 123495242) has the molecular formula C17H35N3O2S and a molecular weight of 345.55 g/mol. Its IUPAC name is [1-(4-methylsulfonylpiperazin-1-yl)cycloundecyl]methanamine.

Molecular Properties

Compound Name[1-(4-methylsulfonylpiperazin-1-yl)cycloundecyl]methanamine
PubChem CID123495242
Molecular FormulaC17H35N3O2S
Molecular Weight345.55 g/mol
Exact Mass345.24
IUPAC Name[1-(4-methylsulfonylpiperazin-1-yl)cycloundecyl]methanamine
SMILESCS(=O)(=O)N1CCN(C2(CN)CCCCCCCCCC2)CC1
InChIInChI=1S/C17H35N3O2S/c1-23(21,22)20-14-12-19(13-15-20)17(16-18)10-8-6-4-2-3-5-7-9-11-17/h2-16,18H2,1H3
InChIKeyFNSKHLIVQQOANO-UHFFFAOYSA-N
XLogP2.18
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.55
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methylsulfonylpiperazin-1-yl)cycloundecyl]methanamine?
The IUPAC name of [1-(4-methylsulfonylpiperazin-1-yl)cycloundecyl]methanamine (CID 123495242) is [1-(4-methylsulfonylpiperazin-1-yl)cycloundecyl]methanamine.
What is the SMILES notation for [1-(4-methylsulfonylpiperazin-1-yl)cycloundecyl]methanamine?
The canonical SMILES for [1-(4-methylsulfonylpiperazin-1-yl)cycloundecyl]methanamine is CS(=O)(=O)N1CCN(C2(CN)CCCCCCCCCC2)CC1.
What is the InChIKey of [1-(4-methylsulfonylpiperazin-1-yl)cycloundecyl]methanamine?
The InChIKey is FNSKHLIVQQOANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O2S/c1-23(21,22)20-14-12-19(13-15-20)17(16-18)10-8-6-4-2-3-5-7-9-11-17/h2-16,18H2,1H3.
What are the key properties of [1-(4-methylsulfonylpiperazin-1-yl)cycloundecyl]methanamine?
[1-(4-methylsulfonylpiperazin-1-yl)cycloundecyl]methanamine has a molecular weight of 345.55 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylsulfonylpiperazin-1-yl)cycloundecyl]methanamine is sourced from PubChem (CID 123495242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).