N-[(1S)-1-[1-(hydroxymethyl)cyclobutyl]-2-methylpropyl]-6-methylpyridine-3-sulfonamide

C15H24N2O3S — CID 164637562

IUPACN-[(1S)-1-[1-(hydroxymethyl)cyclobutyl]-2-methylpropyl]-6-methylpyridine-3-sulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](C(C)C)C2(CO)CCC2)cn1
InChIInChI=1S/C15H24N2O3S/c1-11(2)14(15(10-18)7-4-8-15)17-21(19,20)13-6-5-12(3)16-9-13/h5-6,9,11,14,17-18H,4,7-8,10H2,1-3H3/t14-/m0/s1
InChIKeyCXSKVTOVKWORPH-AWEZNQCLSA-N
MW312.44 g/mol
LogP1.86
Rot. Bonds6

About N-[(1S)-1-[1-(hydroxymethyl)cyclobutyl]-2-methylpropyl]-6-methylpyridine-3-sulfonamide

N-[(1S)-1-[1-(hydroxymethyl)cyclobutyl]-2-methylpropyl]-6-methylpyridine-3-sulfonamide (PubChem CID 164637562) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[(1S)-1-[1-(hydroxymethyl)cyclobutyl]-2-methylpropyl]-6-methylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-[1-(hydroxymethyl)cyclobutyl]-2-methylpropyl]-6-methylpyridine-3-sulfonamide
PubChem CID164637562
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[(1S)-1-[1-(hydroxymethyl)cyclobutyl]-2-methylpropyl]-6-methylpyridine-3-sulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](C(C)C)C2(CO)CCC2)cn1
InChIInChI=1S/C15H24N2O3S/c1-11(2)14(15(10-18)7-4-8-15)17-21(19,20)13-6-5-12(3)16-9-13/h5-6,9,11,14,17-18H,4,7-8,10H2,1-3H3/t14-/m0/s1
InChIKeyCXSKVTOVKWORPH-AWEZNQCLSA-N
XLogP1.86
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[1-(hydroxymethyl)cyclobutyl]-2-methylpropyl]-6-methylpyridine-3-sulfonamide?
The IUPAC name of N-[(1S)-1-[1-(hydroxymethyl)cyclobutyl]-2-methylpropyl]-6-methylpyridine-3-sulfonamide (CID 164637562) is N-[(1S)-1-[1-(hydroxymethyl)cyclobutyl]-2-methylpropyl]-6-methylpyridine-3-sulfonamide.
What is the SMILES notation for N-[(1S)-1-[1-(hydroxymethyl)cyclobutyl]-2-methylpropyl]-6-methylpyridine-3-sulfonamide?
The canonical SMILES for N-[(1S)-1-[1-(hydroxymethyl)cyclobutyl]-2-methylpropyl]-6-methylpyridine-3-sulfonamide is Cc1ccc(S(=O)(=O)N[C@@H](C(C)C)C2(CO)CCC2)cn1.
What is the InChIKey of N-[(1S)-1-[1-(hydroxymethyl)cyclobutyl]-2-methylpropyl]-6-methylpyridine-3-sulfonamide?
The InChIKey is CXSKVTOVKWORPH-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11(2)14(15(10-18)7-4-8-15)17-21(19,20)13-6-5-12(3)16-9-13/h5-6,9,11,14,17-18H,4,7-8,10H2,1-3H3/t14-/m0/s1.
What are the key properties of N-[(1S)-1-[1-(hydroxymethyl)cyclobutyl]-2-methylpropyl]-6-methylpyridine-3-sulfonamide?
N-[(1S)-1-[1-(hydroxymethyl)cyclobutyl]-2-methylpropyl]-6-methylpyridine-3-sulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[1-(hydroxymethyl)cyclobutyl]-2-methylpropyl]-6-methylpyridine-3-sulfonamide is sourced from PubChem (CID 164637562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).