(6-methylsulfanyl-3-pyridinyl) N-tert-butylcarbamate

C11H16N2O2S — CID 174617515

IUPAC(6-methylsulfanyl-3-pyridinyl) N-tert-butylcarbamate
SMILESCSc1ccc(OC(=O)NC(C)(C)C)cn1
InChIInChI=1S/C11H16N2O2S/c1-11(2,3)13-10(14)15-8-5-6-9(16-4)12-7-8/h5-7H,1-4H3,(H,13,14)
InChIKeyCWCRKPVJIKCOKX-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.69
Rot. Bonds2

About (6-methylsulfanyl-3-pyridinyl) N-tert-butylcarbamate

(6-methylsulfanyl-3-pyridinyl) N-tert-butylcarbamate (PubChem CID 174617515) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is (6-methylsulfanyl-3-pyridinyl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(6-methylsulfanyl-3-pyridinyl) N-tert-butylcarbamate
PubChem CID174617515
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name(6-methylsulfanyl-3-pyridinyl) N-tert-butylcarbamate
SMILESCSc1ccc(OC(=O)NC(C)(C)C)cn1
InChIInChI=1S/C11H16N2O2S/c1-11(2,3)13-10(14)15-8-5-6-9(16-4)12-7-8/h5-7H,1-4H3,(H,13,14)
InChIKeyCWCRKPVJIKCOKX-UHFFFAOYSA-N
XLogP2.69
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-hydroxyphenyl) N-tert-butylcarbamate
CID 19747177
5,6,7,8-tetrahydronaphthalen-2-yl N-tert-butylcarbamate
CID 11311209
[5-(4-aminophenoxy)-1,3-thiazol-2-yl] N-tert-butylcarbamate
CID 141158225
tert-butyl N-[(6-methylsulfanyl-3-pyridinyl)methyl]carbamate
CID 102546552
methyl 6-methylsulfanylpyridine-3-carboxylate
CID 901959
(7-methoxynaphthalen-2-yl) N-tert-butylcarbamate
CID 174705376
(3-amino-4-methylphenyl) N-tert-butylcarbamate
CID 68878688
(3,5-dichlorophenyl) N-tert-butylcarbamate
CID 174575887
(7-hydroxynaphthalen-2-yl) N-tert-butylcarbamate
CID 91617195
(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[[5-[(2-methylpropan-2-yl)oxycarbonyloxy]-2-pyridinyl]sulfanyl]butanoic acid
CID 139815849
[4-[[5-amino-2-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl] N-tert-butylcarbamate
CID 174817692
[4-[(2-fluorobenzoyl)amino]phenyl] N-tert-butylcarbamate
CID 174384480

Frequently Asked Questions

What is the IUPAC name of (6-methylsulfanyl-3-pyridinyl) N-tert-butylcarbamate?
The IUPAC name of (6-methylsulfanyl-3-pyridinyl) N-tert-butylcarbamate (CID 174617515) is (6-methylsulfanyl-3-pyridinyl) N-tert-butylcarbamate.
What is the SMILES notation for (6-methylsulfanyl-3-pyridinyl) N-tert-butylcarbamate?
The canonical SMILES for (6-methylsulfanyl-3-pyridinyl) N-tert-butylcarbamate is CSc1ccc(OC(=O)NC(C)(C)C)cn1.
What is the InChIKey of (6-methylsulfanyl-3-pyridinyl) N-tert-butylcarbamate?
The InChIKey is CWCRKPVJIKCOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-11(2,3)13-10(14)15-8-5-6-9(16-4)12-7-8/h5-7H,1-4H3,(H,13,14).
What are the key properties of (6-methylsulfanyl-3-pyridinyl) N-tert-butylcarbamate?
(6-methylsulfanyl-3-pyridinyl) N-tert-butylcarbamate has a molecular weight of 240.33 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylsulfanyl-3-pyridinyl) N-tert-butylcarbamate is sourced from PubChem (CID 174617515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).