benzyl N-[2-(N,S-dimethylsulfonimidoyl)-4-pyridinyl]carbamate

C15H17N3O3S — CID 175806154

IUPACbenzyl N-[2-(N,S-dimethylsulfonimidoyl)-4-pyridinyl]carbamate
SMILESCN=[S@](C)(=O)c1cc(NC(=O)OCc2ccccc2)ccn1
InChIInChI=1S/C15H17N3O3S/c1-16-22(2,20)14-10-13(8-9-17-14)18-15(19)21-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,17,18,19)/t22-/m1/s1
InChIKeyUXGHGMHKWKGNKV-JOCHJYFZSA-N
MW319.39 g/mol
LogP2.92
Rot. Bonds4

About benzyl N-[2-(N,S-dimethylsulfonimidoyl)-4-pyridinyl]carbamate

benzyl N-[2-(N,S-dimethylsulfonimidoyl)-4-pyridinyl]carbamate (PubChem CID 175806154) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is benzyl N-[2-(N,S-dimethylsulfonimidoyl)-4-pyridinyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(N,S-dimethylsulfonimidoyl)-4-pyridinyl]carbamate
PubChem CID175806154
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Namebenzyl N-[2-(N,S-dimethylsulfonimidoyl)-4-pyridinyl]carbamate
SMILESCN=[S@](C)(=O)c1cc(NC(=O)OCc2ccccc2)ccn1
InChIInChI=1S/C15H17N3O3S/c1-16-22(2,20)14-10-13(8-9-17-14)18-15(19)21-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,17,18,19)/t22-/m1/s1
InChIKeyUXGHGMHKWKGNKV-JOCHJYFZSA-N
XLogP2.92
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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benzyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
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CID 70641351
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benzyl N-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]carbamate
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benzyl N-(1,3-benzoxazol-6-yl)carbamate
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benzyl N-(4-acetylphenyl)carbamate
CID 2994007
benzyl N-(3-formyl-4-methylphenyl)carbamate
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CID 131862352

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(N,S-dimethylsulfonimidoyl)-4-pyridinyl]carbamate?
The IUPAC name of benzyl N-[2-(N,S-dimethylsulfonimidoyl)-4-pyridinyl]carbamate (CID 175806154) is benzyl N-[2-(N,S-dimethylsulfonimidoyl)-4-pyridinyl]carbamate.
What is the SMILES notation for benzyl N-[2-(N,S-dimethylsulfonimidoyl)-4-pyridinyl]carbamate?
The canonical SMILES for benzyl N-[2-(N,S-dimethylsulfonimidoyl)-4-pyridinyl]carbamate is CN=[S@](C)(=O)c1cc(NC(=O)OCc2ccccc2)ccn1.
What is the InChIKey of benzyl N-[2-(N,S-dimethylsulfonimidoyl)-4-pyridinyl]carbamate?
The InChIKey is UXGHGMHKWKGNKV-JOCHJYFZSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-16-22(2,20)14-10-13(8-9-17-14)18-15(19)21-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,17,18,19)/t22-/m1/s1.
What are the key properties of benzyl N-[2-(N,S-dimethylsulfonimidoyl)-4-pyridinyl]carbamate?
benzyl N-[2-(N,S-dimethylsulfonimidoyl)-4-pyridinyl]carbamate has a molecular weight of 319.39 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(N,S-dimethylsulfonimidoyl)-4-pyridinyl]carbamate is sourced from PubChem (CID 175806154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).