CID 156650386

C16H22N3O3S — CID 156650386

IUPAC—
SMILESCS(=O)(=O)c1ccc(C2=NC(NC[C@H]3CCCO3)=CN[CH]2)cc1.[H][H]
InChIInChI=1S/C16H20N3O3S.H2/c1-23(20,21)14-6-4-12(5-7-14)15-10-17-11-16(19-15)18-9-13-3-2-8-22-13;/h4-7,10-11,13,17-18H,2-3,8-9H2,1H3;1H/t13-;/m1./s1
InChIKeyQGHRVMGOLGLGNT-BTQNPOSSSA-N
MW336.44 g/mol
LogP1.46
Rot. Bonds5

About CID 156650386

CID 156650386 (PubChem CID 156650386) has the molecular formula C16H22N3O3S and a molecular weight of 336.44 g/mol.

Molecular Properties

Compound NameCID 156650386
PubChem CID156650386
Molecular FormulaC16H22N3O3S
Molecular Weight336.44 g/mol
Exact Mass336.14
IUPAC Name—
SMILESCS(=O)(=O)c1ccc(C2=NC(NC[C@H]3CCCO3)=CN[CH]2)cc1.[H][H]
InChIInChI=1S/C16H20N3O3S.H2/c1-23(20,21)14-6-4-12(5-7-14)15-10-17-11-16(19-15)18-9-13-3-2-8-22-13;/h4-7,10-11,13,17-18H,2-3,8-9H2,1H3;1H/t13-;/m1./s1
InChIKeyQGHRVMGOLGLGNT-BTQNPOSSSA-N
XLogP1.46
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-6-(4-methylsulfonylphenyl)-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 11176284
2-methyl-1-[(4-methylsulfonylphenyl)methyl]-3-(oxolan-2-ylmethyl)guanidine
CID 111137597
4-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112981233
2-methyl-1-[(4-methylsulfonylphenyl)methyl]-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111137596
1-[2-(4-methylsulfonylphenoxy)ethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 95758235
2-methyl-1-[2-(4-methylsulfonylphenyl)ethyl]-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111614044
5-(3-methylsulfonylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 94032924
1-ethyl-2-(4-methylsulfonylphenyl)-N-(oxolan-2-ylmethyl)-2,3,4,5-tetrahydropyridin-1-ium-6-amine
CID 156650271
N-[4-(oxolan-2-ylmethylamino)phenyl]methanesulfonamide
CID 82833910
2-(4-methylsulfonylphenyl)-6-(oxolan-2-ylmethoxy)pyrazine
CID 163629142
2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine
CID 18824850
4-(4-chlorophenyl)sulfonyl-2-methylsulfonyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-5-amine
CID 40870151

Frequently Asked Questions

What is the IUPAC name of CID 156650386?
The IUPAC name of CID 156650386 (CID 156650386) is not available.
What is the SMILES notation for CID 156650386?
The canonical SMILES for CID 156650386 is CS(=O)(=O)c1ccc(C2=NC(NC[C@H]3CCCO3)=CN[CH]2)cc1.[H][H].
What is the InChIKey of CID 156650386?
The InChIKey is QGHRVMGOLGLGNT-BTQNPOSSSA-N. The full InChI is InChI=1S/C16H20N3O3S.H2/c1-23(20,21)14-6-4-12(5-7-14)15-10-17-11-16(19-15)18-9-13-3-2-8-22-13;/h4-7,10-11,13,17-18H,2-3,8-9H2,1H3;1H/t13-;/m1./s1.
What are the key properties of CID 156650386?
CID 156650386 has a molecular weight of 336.44 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156650386 is sourced from PubChem (CID 156650386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).