N-[2-cyclohexyl-2-(4-methylpiperazin-1-yl)ethyl]-N-propan-2-ylmethanesulfonamide

C17H35N3O2S — CID 71200877

IUPACN-[2-cyclohexyl-2-(4-methylpiperazin-1-yl)ethyl]-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CC(C1CCCCC1)N1CCN(C)CC1)S(C)(=O)=O
InChIInChI=1S/C17H35N3O2S/c1-15(2)20(23(4,21)22)14-17(16-8-6-5-7-9-16)19-12-10-18(3)11-13-19/h15-17H,5-14H2,1-4H3
InChIKeyITRMJFHKVOUKDS-UHFFFAOYSA-N
MW345.55 g/mol
LogP1.85
Rot. Bonds6

About N-[2-cyclohexyl-2-(4-methylpiperazin-1-yl)ethyl]-N-propan-2-ylmethanesulfonamide

N-[2-cyclohexyl-2-(4-methylpiperazin-1-yl)ethyl]-N-propan-2-ylmethanesulfonamide (PubChem CID 71200877) has the molecular formula C17H35N3O2S and a molecular weight of 345.55 g/mol. Its IUPAC name is N-[2-cyclohexyl-2-(4-methylpiperazin-1-yl)ethyl]-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-cyclohexyl-2-(4-methylpiperazin-1-yl)ethyl]-N-propan-2-ylmethanesulfonamide
PubChem CID71200877
Molecular FormulaC17H35N3O2S
Molecular Weight345.55 g/mol
Exact Mass345.24
IUPAC NameN-[2-cyclohexyl-2-(4-methylpiperazin-1-yl)ethyl]-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CC(C1CCCCC1)N1CCN(C)CC1)S(C)(=O)=O
InChIInChI=1S/C17H35N3O2S/c1-15(2)20(23(4,21)22)14-17(16-8-6-5-7-9-16)19-12-10-18(3)11-13-19/h15-17H,5-14H2,1-4H3
InChIKeyITRMJFHKVOUKDS-UHFFFAOYSA-N
XLogP1.85
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.55
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-cyclohexyl-2-(4-methylpiperazin-1-yl)ethyl]-N-propan-2-ylmethanesulfonamide?
The IUPAC name of N-[2-cyclohexyl-2-(4-methylpiperazin-1-yl)ethyl]-N-propan-2-ylmethanesulfonamide (CID 71200877) is N-[2-cyclohexyl-2-(4-methylpiperazin-1-yl)ethyl]-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for N-[2-cyclohexyl-2-(4-methylpiperazin-1-yl)ethyl]-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for N-[2-cyclohexyl-2-(4-methylpiperazin-1-yl)ethyl]-N-propan-2-ylmethanesulfonamide is CC(C)N(CC(C1CCCCC1)N1CCN(C)CC1)S(C)(=O)=O.
What is the InChIKey of N-[2-cyclohexyl-2-(4-methylpiperazin-1-yl)ethyl]-N-propan-2-ylmethanesulfonamide?
The InChIKey is ITRMJFHKVOUKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O2S/c1-15(2)20(23(4,21)22)14-17(16-8-6-5-7-9-16)19-12-10-18(3)11-13-19/h15-17H,5-14H2,1-4H3.
What are the key properties of N-[2-cyclohexyl-2-(4-methylpiperazin-1-yl)ethyl]-N-propan-2-ylmethanesulfonamide?
N-[2-cyclohexyl-2-(4-methylpiperazin-1-yl)ethyl]-N-propan-2-ylmethanesulfonamide has a molecular weight of 345.55 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclohexyl-2-(4-methylpiperazin-1-yl)ethyl]-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 71200877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).