5-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide

C16H23N3O2S3 — CID 30606723

IUPAC5-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N2CCN(C)CC2)s1
InChIInChI=1S/C16H23N3O2S3/c1-13-3-4-16(23-13)24(20,21)17-11-15(14-5-10-22-12-14)19-8-6-18(2)7-9-19/h3-5,10,12,15,17H,6-9,11H2,1-2H3/t15-/m1/s1
InChIKeyBKGXMCQEQLZTCU-OAHLLOKOSA-N
MW385.58 g/mol
LogP2.39
Rot. Bonds6

About 5-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide

5-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide (PubChem CID 30606723) has the molecular formula C16H23N3O2S3 and a molecular weight of 385.58 g/mol. Its IUPAC name is 5-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide
PubChem CID30606723
Molecular FormulaC16H23N3O2S3
Molecular Weight385.58 g/mol
Exact Mass385.10
IUPAC Name5-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N2CCN(C)CC2)s1
InChIInChI=1S/C16H23N3O2S3/c1-13-3-4-16(23-13)24(20,21)17-11-15(14-5-10-22-12-14)19-8-6-18(2)7-9-19/h3-5,10,12,15,17H,6-9,11H2,1-2H3/t15-/m1/s1
InChIKeyBKGXMCQEQLZTCU-OAHLLOKOSA-N
XLogP2.39
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.58
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide
CID 30606719
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-5-methylthiophene-2-sulfonamide
CID 7498370
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-5-ethylthiophene-2-sulfonamide
CID 16933255
5-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]thiophene-2-sulfonamide
CID 56685915
3-chloro-4-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide
CID 16932983
4-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide
CID 16932940
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methylthiophene-2-sulfonamide
CID 16932760
N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-4-propylbenzenesulfonamide
CID 16932932
N-[4-[[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]acetamide
CID 16932914
4-methoxy-3-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide
CID 16932942
N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-4-(2-methylpropoxy)benzenesulfonamide
CID 29237280
5-methyl-N-[2-[[(1R)-1-thiophen-3-ylethyl]amino]ethyl]thiophene-2-sulfonamide
CID 97104370

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide (CID 30606723) is 5-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N2CCN(C)CC2)s1.
What is the InChIKey of 5-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide?
The InChIKey is BKGXMCQEQLZTCU-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23N3O2S3/c1-13-3-4-16(23-13)24(20,21)17-11-15(14-5-10-22-12-14)19-8-6-18(2)7-9-19/h3-5,10,12,15,17H,6-9,11H2,1-2H3/t15-/m1/s1.
What are the key properties of 5-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide?
5-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide has a molecular weight of 385.58 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 30606723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).