N,N-dimethyl-1-[4-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanamine

C14H29N3O2S — CID 58438329

IUPACN,N-dimethyl-1-[4-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanamine
SMILESCN(C)CC1CCC(N2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C14H29N3O2S/c1-15(2)12-13-4-6-14(7-5-13)16-8-10-17(11-9-16)20(3,18)19/h13-14H,4-12H2,1-3H3
InChIKeyNYDAIOCGSUBWIQ-UHFFFAOYSA-N
MW303.47 g/mol
LogP0.68
Rot. Bonds4

About N,N-dimethyl-1-[4-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanamine

N,N-dimethyl-1-[4-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanamine (PubChem CID 58438329) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanamine
PubChem CID58438329
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC NameN,N-dimethyl-1-[4-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanamine
SMILESCN(C)CC1CCC(N2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C14H29N3O2S/c1-15(2)12-13-4-6-14(7-5-13)16-8-10-17(11-9-16)20(3,18)19/h13-14H,4-12H2,1-3H3
InChIKeyNYDAIOCGSUBWIQ-UHFFFAOYSA-N
XLogP0.68
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[4-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanamine (CID 58438329) is N,N-dimethyl-1-[4-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[4-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[4-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanamine is CN(C)CC1CCC(N2CCN(S(C)(=O)=O)CC2)CC1.
What is the InChIKey of N,N-dimethyl-1-[4-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanamine?
The InChIKey is NYDAIOCGSUBWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-15(2)12-13-4-6-14(7-5-13)16-8-10-17(11-9-16)20(3,18)19/h13-14H,4-12H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[4-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanamine?
N,N-dimethyl-1-[4-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanamine has a molecular weight of 303.47 g/mol, XLogP of 0.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanamine is sourced from PubChem (CID 58438329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).