N-[(2-methylpyrazolidin-3-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperidin-2-amine

C17H34N4O2S — CID 156650298

IUPACN-[(2-methylpyrazolidin-3-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperidin-2-amine
SMILESCN1NCCC1CNC1CCCC(C2CCC(S(C)(=O)=O)CC2)N1
InChIInChI=1S/C17H34N4O2S/c1-21-14(10-11-19-21)12-18-17-5-3-4-16(20-17)13-6-8-15(9-7-13)24(2,22)23/h13-20H,3-12H2,1-2H3
InChIKeyCUJYYJBRIXVOGM-UHFFFAOYSA-N
MW358.55 g/mol
LogP0.86
Rot. Bonds5

About N-[(2-methylpyrazolidin-3-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperidin-2-amine

N-[(2-methylpyrazolidin-3-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperidin-2-amine (PubChem CID 156650298) has the molecular formula C17H34N4O2S and a molecular weight of 358.55 g/mol. Its IUPAC name is N-[(2-methylpyrazolidin-3-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperidin-2-amine.

Molecular Properties

Compound NameN-[(2-methylpyrazolidin-3-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperidin-2-amine
PubChem CID156650298
Molecular FormulaC17H34N4O2S
Molecular Weight358.55 g/mol
Exact Mass358.24
IUPAC NameN-[(2-methylpyrazolidin-3-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperidin-2-amine
SMILESCN1NCCC1CNC1CCCC(C2CCC(S(C)(=O)=O)CC2)N1
InChIInChI=1S/C17H34N4O2S/c1-21-14(10-11-19-21)12-18-17-5-3-4-16(20-17)13-6-8-15(9-7-13)24(2,22)23/h13-20H,3-12H2,1-2H3
InChIKeyCUJYYJBRIXVOGM-UHFFFAOYSA-N
XLogP0.86
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.55
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazolidin-3-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperidin-2-amine?
The IUPAC name of N-[(2-methylpyrazolidin-3-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperidin-2-amine (CID 156650298) is N-[(2-methylpyrazolidin-3-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperidin-2-amine.
What is the SMILES notation for N-[(2-methylpyrazolidin-3-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperidin-2-amine?
The canonical SMILES for N-[(2-methylpyrazolidin-3-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperidin-2-amine is CN1NCCC1CNC1CCCC(C2CCC(S(C)(=O)=O)CC2)N1.
What is the InChIKey of N-[(2-methylpyrazolidin-3-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperidin-2-amine?
The InChIKey is CUJYYJBRIXVOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O2S/c1-21-14(10-11-19-21)12-18-17-5-3-4-16(20-17)13-6-8-15(9-7-13)24(2,22)23/h13-20H,3-12H2,1-2H3.
What are the key properties of N-[(2-methylpyrazolidin-3-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperidin-2-amine?
N-[(2-methylpyrazolidin-3-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperidin-2-amine has a molecular weight of 358.55 g/mol, XLogP of 0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazolidin-3-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperidin-2-amine is sourced from PubChem (CID 156650298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).