(R)-N-[3-[ethyl(methyl)amino]-1-(5-methylpyrazin-2-yl)propyl]-2-methylpropane-2-sulfinamide

C15H28N4OS — CID 121400958

IUPAC(R)-N-[3-[ethyl(methyl)amino]-1-(5-methylpyrazin-2-yl)propyl]-2-methylpropane-2-sulfinamide
SMILESCCN(C)CCC(N[S@](=O)C(C)(C)C)c1cnc(C)cn1
InChIInChI=1S/C15H28N4OS/c1-7-19(6)9-8-13(18-21(20)15(3,4)5)14-11-16-12(2)10-17-14/h10-11,13,18H,7-9H2,1-6H3/t13?,21-/m1/s1
InChIKeyNGABAXJYXKUDMA-QUXALOBESA-N
MW312.48 g/mol
LogP2.22
Rot. Bonds7

About (R)-N-[3-[ethyl(methyl)amino]-1-(5-methylpyrazin-2-yl)propyl]-2-methylpropane-2-sulfinamide

(R)-N-[3-[ethyl(methyl)amino]-1-(5-methylpyrazin-2-yl)propyl]-2-methylpropane-2-sulfinamide (PubChem CID 121400958) has the molecular formula C15H28N4OS and a molecular weight of 312.48 g/mol. Its IUPAC name is (R)-N-[3-[ethyl(methyl)amino]-1-(5-methylpyrazin-2-yl)propyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[3-[ethyl(methyl)amino]-1-(5-methylpyrazin-2-yl)propyl]-2-methylpropane-2-sulfinamide
PubChem CID121400958
Molecular FormulaC15H28N4OS
Molecular Weight312.48 g/mol
Exact Mass312.20
IUPAC Name(R)-N-[3-[ethyl(methyl)amino]-1-(5-methylpyrazin-2-yl)propyl]-2-methylpropane-2-sulfinamide
SMILESCCN(C)CCC(N[S@](=O)C(C)(C)C)c1cnc(C)cn1
InChIInChI=1S/C15H28N4OS/c1-7-19(6)9-8-13(18-21(20)15(3,4)5)14-11-16-12(2)10-17-14/h10-11,13,18H,7-9H2,1-6H3/t13?,21-/m1/s1
InChIKeyNGABAXJYXKUDMA-QUXALOBESA-N
XLogP2.22
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (R)-N-[3-[ethyl(methyl)amino]-1-(5-methylpyrazin-2-yl)propyl]-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

Frequently Asked Questions

What is the IUPAC name of (R)-N-[3-[ethyl(methyl)amino]-1-(5-methylpyrazin-2-yl)propyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[3-[ethyl(methyl)amino]-1-(5-methylpyrazin-2-yl)propyl]-2-methylpropane-2-sulfinamide (CID 121400958) is (R)-N-[3-[ethyl(methyl)amino]-1-(5-methylpyrazin-2-yl)propyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[3-[ethyl(methyl)amino]-1-(5-methylpyrazin-2-yl)propyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[3-[ethyl(methyl)amino]-1-(5-methylpyrazin-2-yl)propyl]-2-methylpropane-2-sulfinamide is CCN(C)CCC(N[S@](=O)C(C)(C)C)c1cnc(C)cn1.
What is the InChIKey of (R)-N-[3-[ethyl(methyl)amino]-1-(5-methylpyrazin-2-yl)propyl]-2-methylpropane-2-sulfinamide?
The InChIKey is NGABAXJYXKUDMA-QUXALOBESA-N. The full InChI is InChI=1S/C15H28N4OS/c1-7-19(6)9-8-13(18-21(20)15(3,4)5)14-11-16-12(2)10-17-14/h10-11,13,18H,7-9H2,1-6H3/t13?,21-/m1/s1.
What are the key properties of (R)-N-[3-[ethyl(methyl)amino]-1-(5-methylpyrazin-2-yl)propyl]-2-methylpropane-2-sulfinamide?
(R)-N-[3-[ethyl(methyl)amino]-1-(5-methylpyrazin-2-yl)propyl]-2-methylpropane-2-sulfinamide has a molecular weight of 312.48 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[3-[ethyl(methyl)amino]-1-(5-methylpyrazin-2-yl)propyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 121400958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).