N-(3-amino-2-methylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide

C10H20N4O2S — CID 62666487

IUPACN-(3-amino-2-methylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC(C)CN
InChIInChI=1S/C10H20N4O2S/c1-7(5-11)6-12-17(15,16)10-8(2)13-14(4)9(10)3/h7,12H,5-6,11H2,1-4H3
InChIKeyWAMVLUPZIQYJRA-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.09
Rot. Bonds5

About N-(3-amino-2-methylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide

N-(3-amino-2-methylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 62666487) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID62666487
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC NameN-(3-amino-2-methylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC(C)CN
InChIInChI=1S/C10H20N4O2S/c1-7(5-11)6-12-17(15,16)10-8(2)13-14(4)9(10)3/h7,12H,5-6,11H2,1-4H3
InChIKeyWAMVLUPZIQYJRA-UHFFFAOYSA-N
XLogP-0.09
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide (CID 62666487) is N-(3-amino-2-methylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NCC(C)CN.
What is the InChIKey of N-(3-amino-2-methylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is WAMVLUPZIQYJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-7(5-11)6-12-17(15,16)10-8(2)13-14(4)9(10)3/h7,12H,5-6,11H2,1-4H3.
What are the key properties of N-(3-amino-2-methylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
N-(3-amino-2-methylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 260.36 g/mol, XLogP of -0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 62666487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).