N-cyclohexyl-N-methyl-4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]piperazine-1-sulfonamide

C17H29N5O4S2 — CID 55796271

IUPACN-cyclohexyl-N-methyl-4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]piperazine-1-sulfonamide
SMILESCc1nc(CSCC(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)no1
InChIInChI=1S/C17H29N5O4S2/c1-14-18-16(19-26-14)12-27-13-17(23)21-8-10-22(11-9-21)28(24,25)20(2)15-6-4-3-5-7-15/h15H,3-13H2,1-2H3
InChIKeyFSQWTKFWFXTTIB-UHFFFAOYSA-N
MW431.58 g/mol
LogP1.26
Rot. Bonds7

About N-cyclohexyl-N-methyl-4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]piperazine-1-sulfonamide

N-cyclohexyl-N-methyl-4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]piperazine-1-sulfonamide (PubChem CID 55796271) has the molecular formula C17H29N5O4S2 and a molecular weight of 431.58 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]piperazine-1-sulfonamide
PubChem CID55796271
Molecular FormulaC17H29N5O4S2
Molecular Weight431.58 g/mol
Exact Mass431.17
IUPAC NameN-cyclohexyl-N-methyl-4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]piperazine-1-sulfonamide
SMILESCc1nc(CSCC(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)no1
InChIInChI=1S/C17H29N5O4S2/c1-14-18-16(19-26-14)12-27-13-17(23)21-8-10-22(11-9-21)28(24,25)20(2)15-6-4-3-5-7-15/h15H,3-13H2,1-2H3
InChIKeyFSQWTKFWFXTTIB-UHFFFAOYSA-N
XLogP1.26
TPSA99.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]piperazine-1-sulfonamide?
The IUPAC name of N-cyclohexyl-N-methyl-4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]piperazine-1-sulfonamide (CID 55796271) is N-cyclohexyl-N-methyl-4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]piperazine-1-sulfonamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]piperazine-1-sulfonamide?
The canonical SMILES for N-cyclohexyl-N-methyl-4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]piperazine-1-sulfonamide is Cc1nc(CSCC(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)no1.
What is the InChIKey of N-cyclohexyl-N-methyl-4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]piperazine-1-sulfonamide?
The InChIKey is FSQWTKFWFXTTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O4S2/c1-14-18-16(19-26-14)12-27-13-17(23)21-8-10-22(11-9-21)28(24,25)20(2)15-6-4-3-5-7-15/h15H,3-13H2,1-2H3.
What are the key properties of N-cyclohexyl-N-methyl-4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]piperazine-1-sulfonamide?
N-cyclohexyl-N-methyl-4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]piperazine-1-sulfonamide has a molecular weight of 431.58 g/mol, XLogP of 1.26, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]piperazine-1-sulfonamide is sourced from PubChem (CID 55796271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).