tert-butyl N-[4-[[[(R)-tert-butylsulfinyl]amino]-cyclopropylmethyl]-2-pyridinyl]carbamate

C18H29N3O3S — CID 171790965

IUPACtert-butyl N-[4-[[[(R)-tert-butylsulfinyl]amino]-cyclopropylmethyl]-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(C(N[S@](=O)C(C)(C)C)C2CC2)ccn1
InChIInChI=1S/C18H29N3O3S/c1-17(2,3)24-16(22)20-14-11-13(9-10-19-14)15(12-7-8-12)21-25(23)18(4,5)6/h9-12,15,21H,7-8H2,1-6H3,(H,19,20,22)/t15?,25-/m1/s1
InChIKeyITNYRXGWBTWXPB-FFMAFDDDSA-N
MW367.52 g/mol
LogP3.93
Rot. Bonds5

About tert-butyl N-[4-[[[(R)-tert-butylsulfinyl]amino]-cyclopropylmethyl]-2-pyridinyl]carbamate

tert-butyl N-[4-[[[(R)-tert-butylsulfinyl]amino]-cyclopropylmethyl]-2-pyridinyl]carbamate (PubChem CID 171790965) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is tert-butyl N-[4-[[[(R)-tert-butylsulfinyl]amino]-cyclopropylmethyl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[[(R)-tert-butylsulfinyl]amino]-cyclopropylmethyl]-2-pyridinyl]carbamate
PubChem CID171790965
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC Nametert-butyl N-[4-[[[(R)-tert-butylsulfinyl]amino]-cyclopropylmethyl]-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(C(N[S@](=O)C(C)(C)C)C2CC2)ccn1
InChIInChI=1S/C18H29N3O3S/c1-17(2,3)24-16(22)20-14-11-13(9-10-19-14)15(12-7-8-12)21-25(23)18(4,5)6/h9-12,15,21H,7-8H2,1-6H3,(H,19,20,22)/t15?,25-/m1/s1
InChIKeyITNYRXGWBTWXPB-FFMAFDDDSA-N
XLogP3.93
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[4-[[[(R)-tert-butylsulfinyl]amino]-cyclopropylmethyl]-2-pyridinyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[4-(1-aminoethyl)-2-pyridinyl]carbamate
CID 172639114
tert-butyl N-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]carbamate
CID 178036066
tert-butyl N-[4-(1-bromo-2-oxo-2-phenylethyl)-2-pyridinyl]carbamate;hydrobromide
CID 11712544
tert-butyl N-[4-[(1R)-1-bromo-2-(3,5-dimethylphenyl)-2-oxoethyl]-2-pyridinyl]carbamate
CID 99646792
tert-butyl N-[3-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]propyl]-N-methylcarbamate
CID 169053084
tert-butyl [2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl] carbonate
CID 118989818
methyl N-(4-propan-2-yl-2-pyridinyl)carbamate
CID 168928521
tert-butyl N-[4-[2-methoxy-1-[(5S)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]ethyl]-2-pyridinyl]carbamate
CID 171791040
tert-butyl N-[4-(2-hydroxyethyl)-2-pyridinyl]carbamate;ethane
CID 142453798
tert-butyl N-[(S)-[7-[(R)-[[(S)-tert-butylsulfinyl]amino]-cyclopropylmethyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]carbamate
CID 166499905
tert-butyl N-[4-[(1S)-2-methoxy-1-(4,4,4-trifluorobutanoylamino)ethyl]-2-pyridinyl]carbamate
CID 171790633
tert-butyl N-[[(4-tert-butylphenyl)-cyclopropylmethyl]amino]carbamate
CID 134538959

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[[(R)-tert-butylsulfinyl]amino]-cyclopropylmethyl]-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[4-[[[(R)-tert-butylsulfinyl]amino]-cyclopropylmethyl]-2-pyridinyl]carbamate (CID 171790965) is tert-butyl N-[4-[[[(R)-tert-butylsulfinyl]amino]-cyclopropylmethyl]-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[[(R)-tert-butylsulfinyl]amino]-cyclopropylmethyl]-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[[(R)-tert-butylsulfinyl]amino]-cyclopropylmethyl]-2-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1cc(C(N[S@](=O)C(C)(C)C)C2CC2)ccn1.
What is the InChIKey of tert-butyl N-[4-[[[(R)-tert-butylsulfinyl]amino]-cyclopropylmethyl]-2-pyridinyl]carbamate?
The InChIKey is ITNYRXGWBTWXPB-FFMAFDDDSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-17(2,3)24-16(22)20-14-11-13(9-10-19-14)15(12-7-8-12)21-25(23)18(4,5)6/h9-12,15,21H,7-8H2,1-6H3,(H,19,20,22)/t15?,25-/m1/s1.
What are the key properties of tert-butyl N-[4-[[[(R)-tert-butylsulfinyl]amino]-cyclopropylmethyl]-2-pyridinyl]carbamate?
tert-butyl N-[4-[[[(R)-tert-butylsulfinyl]amino]-cyclopropylmethyl]-2-pyridinyl]carbamate has a molecular weight of 367.52 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[[(R)-tert-butylsulfinyl]amino]-cyclopropylmethyl]-2-pyridinyl]carbamate is sourced from PubChem (CID 171790965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).