(S)-N-[(1R)-1-(2-amino-5-pyridin-2-yl-4-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide

C16H22N4OS — CID 127262603

IUPAC(S)-N-[(1R)-1-(2-amino-5-pyridin-2-yl-4-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@@H](N[S@@](=O)C(C)(C)C)c1cc(N)ncc1-c1ccccn1
InChIInChI=1S/C16H22N4OS/c1-11(20-22(21)16(2,3)4)12-9-15(17)19-10-13(12)14-7-5-6-8-18-14/h5-11,20H,1-4H3,(H2,17,19)/t11-,22+/m1/s1
InChIKeyKRTPXBYZUQFOTH-XFNZEKPQSA-N
MW318.45 g/mol
LogP2.84
Rot. Bonds4

About (S)-N-[(1R)-1-(2-amino-5-pyridin-2-yl-4-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide

(S)-N-[(1R)-1-(2-amino-5-pyridin-2-yl-4-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 127262603) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is (S)-N-[(1R)-1-(2-amino-5-pyridin-2-yl-4-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[(1R)-1-(2-amino-5-pyridin-2-yl-4-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
PubChem CID127262603
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name(S)-N-[(1R)-1-(2-amino-5-pyridin-2-yl-4-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@@H](N[S@@](=O)C(C)(C)C)c1cc(N)ncc1-c1ccccn1
InChIInChI=1S/C16H22N4OS/c1-11(20-22(21)16(2,3)4)12-9-15(17)19-10-13(12)14-7-5-6-8-18-14/h5-11,20H,1-4H3,(H2,17,19)/t11-,22+/m1/s1
InChIKeyKRTPXBYZUQFOTH-XFNZEKPQSA-N
XLogP2.84
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (S)-N-[(1R)-1-(2-amino-5-pyridin-2-yl-4-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1S)-1-aminoethyl]-5-pyridin-2-ylpyridin-2-amine
CID 155291038
2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propane-2-sulfinamide
CID 102512777
2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propane-2-sulfinamide
CID 102512778
2-methyl-N-[(1R)-1-pyridin-3-ylethyl]propane-2-sulfinamide
CID 102512780
2-methyl-N-[(1S)-2,2,2-trichloro-1-pyridin-2-ylethyl]propane-2-sulfinamide
CID 102484760
(R)-N-[(1S)-1-(2-bromo-4-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 59278411
(S)-2-methyl-N-[(1S)-1-[2-[(E)-2-thiophen-2-ylethenyl]phenyl]ethyl]propane-2-sulfinamide
CID 178014045
(R)-N-[(1R)-1-(9-fluoro-7-oxo-5,6-dihydrochromeno[2,3-f]quinolin-11-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 178071761
(R)-N-[(1S)-1-(2,3-dihydro-1H-indol-4-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 172908301
(R)-2-methyl-N-[(5-pyridin-2-ylthiophen-2-yl)methylidene]propane-2-sulfinamide
CID 123911781
2-methyl-N-[(1S)-1-(5-pyridin-3-yl-3-pyridinyl)ethyl]propane-2-sulfinamide
CID 165146618
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 68561497

Frequently Asked Questions

What is the IUPAC name of (S)-N-[(1R)-1-(2-amino-5-pyridin-2-yl-4-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[(1R)-1-(2-amino-5-pyridin-2-yl-4-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide (CID 127262603) is (S)-N-[(1R)-1-(2-amino-5-pyridin-2-yl-4-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[(1R)-1-(2-amino-5-pyridin-2-yl-4-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[(1R)-1-(2-amino-5-pyridin-2-yl-4-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide is C[C@@H](N[S@@](=O)C(C)(C)C)c1cc(N)ncc1-c1ccccn1.
What is the InChIKey of (S)-N-[(1R)-1-(2-amino-5-pyridin-2-yl-4-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is KRTPXBYZUQFOTH-XFNZEKPQSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-11(20-22(21)16(2,3)4)12-9-15(17)19-10-13(12)14-7-5-6-8-18-14/h5-11,20H,1-4H3,(H2,17,19)/t11-,22+/m1/s1.
What are the key properties of (S)-N-[(1R)-1-(2-amino-5-pyridin-2-yl-4-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide?
(S)-N-[(1R)-1-(2-amino-5-pyridin-2-yl-4-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 318.45 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[(1R)-1-(2-amino-5-pyridin-2-yl-4-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 127262603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).