tert-butyl N-[5-(1-methylsulfonylpropan-2-ylamino)-2-pyridinyl]carbamate

C14H23N3O4S — CID 103936587

IUPACtert-butyl N-[5-(1-methylsulfonylpropan-2-ylamino)-2-pyridinyl]carbamate
SMILESCC(CS(C)(=O)=O)Nc1ccc(NC(=O)OC(C)(C)C)nc1
InChIInChI=1S/C14H23N3O4S/c1-10(9-22(5,19)20)16-11-6-7-12(15-8-11)17-13(18)21-14(2,3)4/h6-8,10,16H,9H2,1-5H3,(H,15,17,18)
InChIKeyWOVSKFUYIJRIHL-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.27
Rot. Bonds5

About tert-butyl N-[5-(1-methylsulfonylpropan-2-ylamino)-2-pyridinyl]carbamate

tert-butyl N-[5-(1-methylsulfonylpropan-2-ylamino)-2-pyridinyl]carbamate (PubChem CID 103936587) has the molecular formula C14H23N3O4S and a molecular weight of 329.42 g/mol. Its IUPAC name is tert-butyl N-[5-(1-methylsulfonylpropan-2-ylamino)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(1-methylsulfonylpropan-2-ylamino)-2-pyridinyl]carbamate
PubChem CID103936587
Molecular FormulaC14H23N3O4S
Molecular Weight329.42 g/mol
Exact Mass329.14
IUPAC Nametert-butyl N-[5-(1-methylsulfonylpropan-2-ylamino)-2-pyridinyl]carbamate
SMILESCC(CS(C)(=O)=O)Nc1ccc(NC(=O)OC(C)(C)C)nc1
InChIInChI=1S/C14H23N3O4S/c1-10(9-22(5,19)20)16-11-6-7-12(15-8-11)17-13(18)21-14(2,3)4/h6-8,10,16H,9H2,1-5H3,(H,15,17,18)
InChIKeyWOVSKFUYIJRIHL-UHFFFAOYSA-N
XLogP2.27
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[5-[(1-methoxy-3-methylbutan-2-yl)amino]-2-pyridinyl]carbamate
CID 103936619
tert-butyl N-[5-(5-methylheptan-3-ylamino)-2-pyridinyl]carbamate
CID 107243064
methyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]butanoate
CID 107243083
tert-butyl N-[2-[(6-methylsulfonyl-3-pyridinyl)amino]propyl]carbamate
CID 103387988
tert-butyl N-[5-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-pyridinyl]carbamate
CID 107243135
tert-butyl N-[5-[(2-aminophenyl)methylamino]-2-pyridinyl]carbamate
CID 107243153
tert-butyl N-[5-(1-chloroethyl)-2-pyridinyl]carbamate
CID 178071288
tert-butyl N-(5-propan-2-yloxy-2-pyridinyl)carbamate
CID 70798094
tert-butyl N-[5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2-pyridinyl]carbamate
CID 103823852
tert-butyl N-[5-[(5-bromo-2-pyridinyl)methylamino]-2-pyridinyl]carbamate
CID 103823822
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-[6-(4-propan-2-ylanilino)-3-pyridinyl]carbamate
CID 113017853

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(1-methylsulfonylpropan-2-ylamino)-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[5-(1-methylsulfonylpropan-2-ylamino)-2-pyridinyl]carbamate (CID 103936587) is tert-butyl N-[5-(1-methylsulfonylpropan-2-ylamino)-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(1-methylsulfonylpropan-2-ylamino)-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[5-(1-methylsulfonylpropan-2-ylamino)-2-pyridinyl]carbamate is CC(CS(C)(=O)=O)Nc1ccc(NC(=O)OC(C)(C)C)nc1.
What is the InChIKey of tert-butyl N-[5-(1-methylsulfonylpropan-2-ylamino)-2-pyridinyl]carbamate?
The InChIKey is WOVSKFUYIJRIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S/c1-10(9-22(5,19)20)16-11-6-7-12(15-8-11)17-13(18)21-14(2,3)4/h6-8,10,16H,9H2,1-5H3,(H,15,17,18).
What are the key properties of tert-butyl N-[5-(1-methylsulfonylpropan-2-ylamino)-2-pyridinyl]carbamate?
tert-butyl N-[5-(1-methylsulfonylpropan-2-ylamino)-2-pyridinyl]carbamate has a molecular weight of 329.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(1-methylsulfonylpropan-2-ylamino)-2-pyridinyl]carbamate is sourced from PubChem (CID 103936587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).