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

C16H29N3OS — CID 121400956

IUPAC(R)-N-[3-[ethyl(methyl)amino]-1-(5-methyl-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide
SMILESCCN(C)CCC(N[S@](=O)C(C)(C)C)c1ccc(C)cn1
InChIInChI=1S/C16H29N3OS/c1-7-19(6)11-10-15(18-21(20)16(3,4)5)14-9-8-13(2)12-17-14/h8-9,12,15,18H,7,10-11H2,1-6H3/t15?,21-/m1/s1
InChIKeyXYFKINSAEJYIIQ-MZVUKIKXSA-N
MW311.50 g/mol
LogP2.82
Rot. Bonds7

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

(R)-N-[3-[ethyl(methyl)amino]-1-(5-methyl-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide (PubChem CID 121400956) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is (R)-N-[3-[ethyl(methyl)amino]-1-(5-methyl-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[3-[ethyl(methyl)amino]-1-(5-methyl-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide
PubChem CID121400956
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC Name(R)-N-[3-[ethyl(methyl)amino]-1-(5-methyl-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide
SMILESCCN(C)CCC(N[S@](=O)C(C)(C)C)c1ccc(C)cn1
InChIInChI=1S/C16H29N3OS/c1-7-19(6)11-10-15(18-21(20)16(3,4)5)14-9-8-13(2)12-17-14/h8-9,12,15,18H,7,10-11H2,1-6H3/t15?,21-/m1/s1
InChIKeyXYFKINSAEJYIIQ-MZVUKIKXSA-N
XLogP2.82
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[3-[ethyl(methyl)amino]-1-(5-methyl-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[3-[ethyl(methyl)amino]-1-(5-methyl-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide (CID 121400956) is (R)-N-[3-[ethyl(methyl)amino]-1-(5-methyl-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[3-[ethyl(methyl)amino]-1-(5-methyl-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[3-[ethyl(methyl)amino]-1-(5-methyl-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide is CCN(C)CCC(N[S@](=O)C(C)(C)C)c1ccc(C)cn1.
What is the InChIKey of (R)-N-[3-[ethyl(methyl)amino]-1-(5-methyl-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide?
The InChIKey is XYFKINSAEJYIIQ-MZVUKIKXSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-7-19(6)11-10-15(18-21(20)16(3,4)5)14-9-8-13(2)12-17-14/h8-9,12,15,18H,7,10-11H2,1-6H3/t15?,21-/m1/s1.
What are the key properties of (R)-N-[3-[ethyl(methyl)amino]-1-(5-methyl-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide?
(R)-N-[3-[ethyl(methyl)amino]-1-(5-methyl-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide has a molecular weight of 311.50 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[3-[ethyl(methyl)amino]-1-(5-methyl-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 121400956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).