N,2,2-trimethyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-amine

C14H29N3O2S — CID 79855030

IUPACN,2,2-trimethyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-amine
SMILESCNC1C(CN2CCN(S(C)(=O)=O)CC2)CCC1(C)C
InChIInChI=1S/C14H29N3O2S/c1-14(2)6-5-12(13(14)15-3)11-16-7-9-17(10-8-16)20(4,18)19/h12-13,15H,5-11H2,1-4H3
InChIKeyAIFKQJSUZZCFCE-UHFFFAOYSA-N
MW303.47 g/mol
LogP0.59
Rot. Bonds4

About N,2,2-trimethyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-amine

N,2,2-trimethyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-amine (PubChem CID 79855030) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is N,2,2-trimethyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-amine
PubChem CID79855030
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC NameN,2,2-trimethyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-amine
SMILESCNC1C(CN2CCN(S(C)(=O)=O)CC2)CCC1(C)C
InChIInChI=1S/C14H29N3O2S/c1-14(2)6-5-12(13(14)15-3)11-16-7-9-17(10-8-16)20(4,18)19/h12-13,15H,5-11H2,1-4H3
InChIKeyAIFKQJSUZZCFCE-UHFFFAOYSA-N
XLogP0.59
TPSA52.65 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 ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-amine?
The IUPAC name of N,2,2-trimethyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-amine (CID 79855030) is N,2,2-trimethyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for N,2,2-trimethyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-amine is CNC1C(CN2CCN(S(C)(=O)=O)CC2)CCC1(C)C.
What is the InChIKey of N,2,2-trimethyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-amine?
The InChIKey is AIFKQJSUZZCFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-14(2)6-5-12(13(14)15-3)11-16-7-9-17(10-8-16)20(4,18)19/h12-13,15H,5-11H2,1-4H3.
What are the key properties of N,2,2-trimethyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-amine?
N,2,2-trimethyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-amine has a molecular weight of 303.47 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 79855030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).