4-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]-1H-pyrazol-5-amine

C9H16N4O3S — CID 55152947

IUPAC4-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]-1H-pyrazol-5-amine
SMILESCC1CN(S(=O)(=O)c2cn[nH]c2N)CCCO1
InChIInChI=1S/C9H16N4O3S/c1-7-6-13(3-2-4-16-7)17(14,15)8-5-11-12-9(8)10/h5,7H,2-4,6H2,1H3,(H3,10,11,12)
InChIKeyRNRMPBPCQBQULO-UHFFFAOYSA-N
MW260.32 g/mol
LogP-0.21
Rot. Bonds2

About 4-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]-1H-pyrazol-5-amine

4-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]-1H-pyrazol-5-amine (PubChem CID 55152947) has the molecular formula C9H16N4O3S and a molecular weight of 260.32 g/mol. Its IUPAC name is 4-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]-1H-pyrazol-5-amine
PubChem CID55152947
Molecular FormulaC9H16N4O3S
Molecular Weight260.32 g/mol
Exact Mass260.09
IUPAC Name4-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]-1H-pyrazol-5-amine
SMILESCC1CN(S(=O)(=O)c2cn[nH]c2N)CCCO1
InChIInChI=1S/C9H16N4O3S/c1-7-6-13(3-2-4-16-7)17(14,15)8-5-11-12-9(8)10/h5,7H,2-4,6H2,1H3,(H3,10,11,12)
InChIKeyRNRMPBPCQBQULO-UHFFFAOYSA-N
XLogP-0.21
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]-1H-pyrazol-5-amine (CID 55152947) is 4-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]-1H-pyrazol-5-amine is CC1CN(S(=O)(=O)c2cn[nH]c2N)CCCO1.
What is the InChIKey of 4-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]-1H-pyrazol-5-amine?
The InChIKey is RNRMPBPCQBQULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S/c1-7-6-13(3-2-4-16-7)17(14,15)8-5-11-12-9(8)10/h5,7H,2-4,6H2,1H3,(H3,10,11,12).
What are the key properties of 4-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]-1H-pyrazol-5-amine?
4-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]-1H-pyrazol-5-amine has a molecular weight of 260.32 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 55152947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).