N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide

C14H26N4O2S2 — CID 99831960

IUPACN-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide
SMILESCCN1CCN([C@@H](C)CNS(=O)(=O)c2sc(C)nc2C)CC1
InChIInChI=1S/C14H26N4O2S2/c1-5-17-6-8-18(9-7-17)11(2)10-15-22(19,20)14-12(3)16-13(4)21-14/h11,15H,5-10H2,1-4H3/t11-/m0/s1
InChIKeyMHGPLIABCOXXPM-NSHDSACASA-N
MW346.52 g/mol
LogP1.06
Rot. Bonds6

About N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide

N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide (PubChem CID 99831960) has the molecular formula C14H26N4O2S2 and a molecular weight of 346.52 g/mol. Its IUPAC name is N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide
PubChem CID99831960
Molecular FormulaC14H26N4O2S2
Molecular Weight346.52 g/mol
Exact Mass346.15
IUPAC NameN-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide
SMILESCCN1CCN([C@@H](C)CNS(=O)(=O)c2sc(C)nc2C)CC1
InChIInChI=1S/C14H26N4O2S2/c1-5-17-6-8-18(9-7-17)11(2)10-15-22(19,20)14-12(3)16-13(4)21-14/h11,15H,5-10H2,1-4H3/t11-/m0/s1
InChIKeyMHGPLIABCOXXPM-NSHDSACASA-N
XLogP1.06
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide (CID 99831960) is N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide is CCN1CCN([C@@H](C)CNS(=O)(=O)c2sc(C)nc2C)CC1.
What is the InChIKey of N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide?
The InChIKey is MHGPLIABCOXXPM-NSHDSACASA-N. The full InChI is InChI=1S/C14H26N4O2S2/c1-5-17-6-8-18(9-7-17)11(2)10-15-22(19,20)14-12(3)16-13(4)21-14/h11,15H,5-10H2,1-4H3/t11-/m0/s1.
What are the key properties of N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide?
N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide has a molecular weight of 346.52 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 99831960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).