N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propane-1-sulfonamide;hydrochloride

C12H23ClN4O2S2 — CID 120902824

IUPACN-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propane-1-sulfonamide;hydrochloride
SMILESCCCS(=O)(=O)NC1CCN(Cc2cnc(N)s2)CC1.Cl
InChIInChI=1S/C12H22N4O2S2.ClH/c1-2-7-20(17,18)15-10-3-5-16(6-4-10)9-11-8-14-12(13)19-11;/h8,10,15H,2-7,9H2,1H3,(H2,13,14);1H
InChIKeyQJRSMGQOBZQCDC-UHFFFAOYSA-N
MW354.93 g/mol
LogP1.44
Rot. Bonds6

About N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propane-1-sulfonamide;hydrochloride

N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propane-1-sulfonamide;hydrochloride (PubChem CID 120902824) has the molecular formula C12H23ClN4O2S2 and a molecular weight of 354.93 g/mol. Its IUPAC name is N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propane-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propane-1-sulfonamide;hydrochloride
PubChem CID120902824
Molecular FormulaC12H23ClN4O2S2
Molecular Weight354.93 g/mol
Exact Mass354.10
IUPAC NameN-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propane-1-sulfonamide;hydrochloride
SMILESCCCS(=O)(=O)NC1CCN(Cc2cnc(N)s2)CC1.Cl
InChIInChI=1S/C12H22N4O2S2.ClH/c1-2-7-20(17,18)15-10-3-5-16(6-4-10)9-11-8-14-12(13)19-11;/h8,10,15H,2-7,9H2,1H3,(H2,13,14);1H
InChIKeyQJRSMGQOBZQCDC-UHFFFAOYSA-N
XLogP1.44
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.93
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propane-1-sulfonamide;hydrochloride?
The IUPAC name of N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propane-1-sulfonamide;hydrochloride (CID 120902824) is N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propane-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propane-1-sulfonamide;hydrochloride?
The canonical SMILES for N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propane-1-sulfonamide;hydrochloride is CCCS(=O)(=O)NC1CCN(Cc2cnc(N)s2)CC1.Cl.
What is the InChIKey of N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propane-1-sulfonamide;hydrochloride?
The InChIKey is QJRSMGQOBZQCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S2.ClH/c1-2-7-20(17,18)15-10-3-5-16(6-4-10)9-11-8-14-12(13)19-11;/h8,10,15H,2-7,9H2,1H3,(H2,13,14);1H.
What are the key properties of N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propane-1-sulfonamide;hydrochloride?
N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propane-1-sulfonamide;hydrochloride has a molecular weight of 354.93 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propane-1-sulfonamide;hydrochloride is sourced from PubChem (CID 120902824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).