N-(2-tert-butylsulfonylethyl)-1-methylpyrazol-3-amine

C10H19N3O2S — CID 106723990

IUPACN-(2-tert-butylsulfonylethyl)-1-methylpyrazol-3-amine
SMILESCn1ccc(NCCS(=O)(=O)C(C)(C)C)n1
InChIInChI=1S/C10H19N3O2S/c1-10(2,3)16(14,15)8-6-11-9-5-7-13(4)12-9/h5,7H,6,8H2,1-4H3,(H,11,12)
InChIKeyLKMKGOVTAWRQIU-UHFFFAOYSA-N
MW245.35 g/mol
LogP1.05
Rot. Bonds4

About N-(2-tert-butylsulfonylethyl)-1-methylpyrazol-3-amine

N-(2-tert-butylsulfonylethyl)-1-methylpyrazol-3-amine (PubChem CID 106723990) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-(2-tert-butylsulfonylethyl)-1-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-(2-tert-butylsulfonylethyl)-1-methylpyrazol-3-amine
PubChem CID106723990
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC NameN-(2-tert-butylsulfonylethyl)-1-methylpyrazol-3-amine
SMILESCn1ccc(NCCS(=O)(=O)C(C)(C)C)n1
InChIInChI=1S/C10H19N3O2S/c1-10(2,3)16(14,15)8-6-11-9-5-7-13(4)12-9/h5,7H,6,8H2,1-4H3,(H,11,12)
InChIKeyLKMKGOVTAWRQIU-UHFFFAOYSA-N
XLogP1.05
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylsulfonylethyl)-1-methylpyrazol-3-amine?
The IUPAC name of N-(2-tert-butylsulfonylethyl)-1-methylpyrazol-3-amine (CID 106723990) is N-(2-tert-butylsulfonylethyl)-1-methylpyrazol-3-amine.
What is the SMILES notation for N-(2-tert-butylsulfonylethyl)-1-methylpyrazol-3-amine?
The canonical SMILES for N-(2-tert-butylsulfonylethyl)-1-methylpyrazol-3-amine is Cn1ccc(NCCS(=O)(=O)C(C)(C)C)n1.
What is the InChIKey of N-(2-tert-butylsulfonylethyl)-1-methylpyrazol-3-amine?
The InChIKey is LKMKGOVTAWRQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-10(2,3)16(14,15)8-6-11-9-5-7-13(4)12-9/h5,7H,6,8H2,1-4H3,(H,11,12).
What are the key properties of N-(2-tert-butylsulfonylethyl)-1-methylpyrazol-3-amine?
N-(2-tert-butylsulfonylethyl)-1-methylpyrazol-3-amine has a molecular weight of 245.35 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfonylethyl)-1-methylpyrazol-3-amine is sourced from PubChem (CID 106723990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).