N-[2-(methylamino)propyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride

C10H20ClN5O3S — CID 120830262

IUPACN-[2-(methylamino)propyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride
SMILESCNC(C)CNC(=O)CNS(=O)(=O)c1cnn(C)c1.Cl
InChIInChI=1S/C10H19N5O3S.ClH/c1-8(11-2)4-12-10(16)6-14-19(17,18)9-5-13-15(3)7-9;/h5,7-8,11,14H,4,6H2,1-3H3,(H,12,16);1H
InChIKeyUMLSDTYFXSNDKQ-UHFFFAOYSA-N
MW325.82 g/mol
LogP-1.16
Rot. Bonds7

About N-[2-(methylamino)propyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride

N-[2-(methylamino)propyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride (PubChem CID 120830262) has the molecular formula C10H20ClN5O3S and a molecular weight of 325.82 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride
PubChem CID120830262
Molecular FormulaC10H20ClN5O3S
Molecular Weight325.82 g/mol
Exact Mass325.10
IUPAC NameN-[2-(methylamino)propyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride
SMILESCNC(C)CNC(=O)CNS(=O)(=O)c1cnn(C)c1.Cl
InChIInChI=1S/C10H19N5O3S.ClH/c1-8(11-2)4-12-10(16)6-14-19(17,18)9-5-13-15(3)7-9;/h5,7-8,11,14H,4,6H2,1-3H3,(H,12,16);1H
InChIKeyUMLSDTYFXSNDKQ-UHFFFAOYSA-N
XLogP-1.16
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)propyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride (CID 120830262) is N-[2-(methylamino)propyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)propyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)propyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride is CNC(C)CNC(=O)CNS(=O)(=O)c1cnn(C)c1.Cl.
What is the InChIKey of N-[2-(methylamino)propyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride?
The InChIKey is UMLSDTYFXSNDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O3S.ClH/c1-8(11-2)4-12-10(16)6-14-19(17,18)9-5-13-15(3)7-9;/h5,7-8,11,14H,4,6H2,1-3H3,(H,12,16);1H.
What are the key properties of N-[2-(methylamino)propyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride?
N-[2-(methylamino)propyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride has a molecular weight of 325.82 g/mol, XLogP of -1.16, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride is sourced from PubChem (CID 120830262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).