4-[(1S)-1-(tert-butylsulfinylamino)propyl]pyridine-2-carboxamide

C13H21N3O2S — CID 59278114

IUPAC4-[(1S)-1-(tert-butylsulfinylamino)propyl]pyridine-2-carboxamide
SMILESCC[C@H](NS(=O)C(C)(C)C)c1ccnc(C(N)=O)c1
InChIInChI=1S/C13H21N3O2S/c1-5-10(16-19(18)13(2,3)4)9-6-7-15-11(8-9)12(14)17/h6-8,10,16H,5H2,1-4H3,(H2,14,17)/t10-,19?/m0/s1
InChIKeyKEFLQEPOGSJUGQ-IHBJSSOOSA-N
MW283.40 g/mol
LogP1.68
Rot. Bonds5

About 4-[(1S)-1-(tert-butylsulfinylamino)propyl]pyridine-2-carboxamide

4-[(1S)-1-(tert-butylsulfinylamino)propyl]pyridine-2-carboxamide (PubChem CID 59278114) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 4-[(1S)-1-(tert-butylsulfinylamino)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(1S)-1-(tert-butylsulfinylamino)propyl]pyridine-2-carboxamide
PubChem CID59278114
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name4-[(1S)-1-(tert-butylsulfinylamino)propyl]pyridine-2-carboxamide
SMILESCC[C@H](NS(=O)C(C)(C)C)c1ccnc(C(N)=O)c1
InChIInChI=1S/C13H21N3O2S/c1-5-10(16-19(18)13(2,3)4)9-6-7-15-11(8-9)12(14)17/h6-8,10,16H,5H2,1-4H3,(H2,14,17)/t10-,19?/m0/s1
InChIKeyKEFLQEPOGSJUGQ-IHBJSSOOSA-N
XLogP1.68
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3S)-3-(2-bromo-4-pyridinyl)-3-(tert-butylsulfinylamino)propanoate
CID 146182897
(S)-2-methyl-N-[(1R)-1-(6-methyl-3-pyridinyl)propyl]propane-2-sulfinamide
CID 67521466
N-[1-(2-bromopyrimidin-4-yl)propyl]-2-methylpropane-2-sulfinamide
CID 139519265
(S)-2-methyl-N-[(1S)-1-(1,3-thiazol-4-yl)propyl]propane-2-sulfinamide
CID 155213946
(R)-N-[(1S)-1-(furan-2-yl)propyl]-2-methylpropane-2-sulfinamide
CID 135000754
4-[chloro(methoxy)methyl]pyridine-2-carboxamide
CID 91260878
4-(1-aminobutan-2-ylamino)pyridine-2-carboxamide
CID 63764940
N-[(1S)-1-(4-cyclopropylphenyl)propyl]-2-methylpropane-2-sulfinamide
CID 118693312
N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide
CID 142702173
4-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-2-carboxamide
CID 63965708
(R)-N-[(1R)-1-(6-amino-3-phenylpyridazin-4-yl)propyl]-2-methylpropane-2-sulfinamide
CID 130387121
N-[(1S)-1-(2-bromo-4-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 86640807

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-(tert-butylsulfinylamino)propyl]pyridine-2-carboxamide?
The IUPAC name of 4-[(1S)-1-(tert-butylsulfinylamino)propyl]pyridine-2-carboxamide (CID 59278114) is 4-[(1S)-1-(tert-butylsulfinylamino)propyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[(1S)-1-(tert-butylsulfinylamino)propyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[(1S)-1-(tert-butylsulfinylamino)propyl]pyridine-2-carboxamide is CC[C@H](NS(=O)C(C)(C)C)c1ccnc(C(N)=O)c1.
What is the InChIKey of 4-[(1S)-1-(tert-butylsulfinylamino)propyl]pyridine-2-carboxamide?
The InChIKey is KEFLQEPOGSJUGQ-IHBJSSOOSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-5-10(16-19(18)13(2,3)4)9-6-7-15-11(8-9)12(14)17/h6-8,10,16H,5H2,1-4H3,(H2,14,17)/t10-,19?/m0/s1.
What are the key properties of 4-[(1S)-1-(tert-butylsulfinylamino)propyl]pyridine-2-carboxamide?
4-[(1S)-1-(tert-butylsulfinylamino)propyl]pyridine-2-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-(tert-butylsulfinylamino)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 59278114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).