N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-1-methylpyrazole-4-sulfonamide

C12H21N3O4S — CID 99997051

IUPACN-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCC[C@@H](O)C2CCOCC2)cn1
InChIInChI=1S/C12H21N3O4S/c1-15-9-11(8-13-15)20(17,18)14-5-2-12(16)10-3-6-19-7-4-10/h8-10,12,14,16H,2-7H2,1H3/t12-/m1/s1
InChIKeyMUQDRHBMHAMVGX-GFCCVEGCSA-N
MW303.38 g/mol
LogP-0.12
Rot. Bonds6

About N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-1-methylpyrazole-4-sulfonamide

N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 99997051) has the molecular formula C12H21N3O4S and a molecular weight of 303.38 g/mol. Its IUPAC name is N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-1-methylpyrazole-4-sulfonamide
PubChem CID99997051
Molecular FormulaC12H21N3O4S
Molecular Weight303.38 g/mol
Exact Mass303.13
IUPAC NameN-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCC[C@@H](O)C2CCOCC2)cn1
InChIInChI=1S/C12H21N3O4S/c1-15-9-11(8-13-15)20(17,18)14-5-2-12(16)10-3-6-19-7-4-10/h8-10,12,14,16H,2-7H2,1H3/t12-/m1/s1
InChIKeyMUQDRHBMHAMVGX-GFCCVEGCSA-N
XLogP-0.12
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-1-methylpyrazole-4-sulfonamide (CID 99997051) is N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCC[C@@H](O)C2CCOCC2)cn1.
What is the InChIKey of N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is MUQDRHBMHAMVGX-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H21N3O4S/c1-15-9-11(8-13-15)20(17,18)14-5-2-12(16)10-3-6-19-7-4-10/h8-10,12,14,16H,2-7H2,1H3/t12-/m1/s1.
What are the key properties of N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-1-methylpyrazole-4-sulfonamide?
N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 303.38 g/mol, XLogP of -0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 99997051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).