2-methyl-2-(propan-2-ylamino)-4-pyridin-2-ylsulfanylpentanamide

C14H23N3OS — CID 64709128

IUPAC2-methyl-2-(propan-2-ylamino)-4-pyridin-2-ylsulfanylpentanamide
SMILESCC(C)NC(C)(CC(C)Sc1ccccn1)C(N)=O
InChIInChI=1S/C14H23N3OS/c1-10(2)17-14(4,13(15)18)9-11(3)19-12-7-5-6-8-16-12/h5-8,10-11,17H,9H2,1-4H3,(H2,15,18)
InChIKeyDDLQDMCCEPLQJL-UHFFFAOYSA-N
MW281.43 g/mol
LogP2.19
Rot. Bonds7

About 2-methyl-2-(propan-2-ylamino)-4-pyridin-2-ylsulfanylpentanamide

2-methyl-2-(propan-2-ylamino)-4-pyridin-2-ylsulfanylpentanamide (PubChem CID 64709128) has the molecular formula C14H23N3OS and a molecular weight of 281.43 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-ylamino)-4-pyridin-2-ylsulfanylpentanamide.

Molecular Properties

Compound Name2-methyl-2-(propan-2-ylamino)-4-pyridin-2-ylsulfanylpentanamide
PubChem CID64709128
Molecular FormulaC14H23N3OS
Molecular Weight281.43 g/mol
Exact Mass281.16
IUPAC Name2-methyl-2-(propan-2-ylamino)-4-pyridin-2-ylsulfanylpentanamide
SMILESCC(C)NC(C)(CC(C)Sc1ccccn1)C(N)=O
InChIInChI=1S/C14H23N3OS/c1-10(2)17-14(4,13(15)18)9-11(3)19-12-7-5-6-8-16-12/h5-8,10-11,17H,9H2,1-4H3,(H2,15,18)
InChIKeyDDLQDMCCEPLQJL-UHFFFAOYSA-N
XLogP2.19
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylpentanamide
CID 64704753
4-(2,4-dimethylphenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64709114
4-pyridin-2-ylsulfanylpentan-2-one
CID 64727463
2-(ethylamino)-2-methyl-4-pyridin-2-ylsulfanylpentan-1-ol
CID 64806184
4-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)pentanamide
CID 64703761
4-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64705170
2-(cyclopropylamino)-2-methyl-4-pyridin-2-ylsulfanylpentan-1-ol
CID 64808268
dimethyl (2S,3S)-2,3-bis(pyridin-2-ylsulfanyl)butanedioate
CID 7140272
methyl 4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propan-2-ylamino)pentanoate
CID 64703569
4-[(3-bromo-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)pentanamide
CID 64703758
2-pyridin-2-ylsulfanylbutanamide
CID 21127936
N-[(1-hydroxycyclopentyl)methyl]-2-pyridin-2-ylsulfanylpropanamide
CID 111977244

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propan-2-ylamino)-4-pyridin-2-ylsulfanylpentanamide?
The IUPAC name of 2-methyl-2-(propan-2-ylamino)-4-pyridin-2-ylsulfanylpentanamide (CID 64709128) is 2-methyl-2-(propan-2-ylamino)-4-pyridin-2-ylsulfanylpentanamide.
What is the SMILES notation for 2-methyl-2-(propan-2-ylamino)-4-pyridin-2-ylsulfanylpentanamide?
The canonical SMILES for 2-methyl-2-(propan-2-ylamino)-4-pyridin-2-ylsulfanylpentanamide is CC(C)NC(C)(CC(C)Sc1ccccn1)C(N)=O.
What is the InChIKey of 2-methyl-2-(propan-2-ylamino)-4-pyridin-2-ylsulfanylpentanamide?
The InChIKey is DDLQDMCCEPLQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-10(2)17-14(4,13(15)18)9-11(3)19-12-7-5-6-8-16-12/h5-8,10-11,17H,9H2,1-4H3,(H2,15,18).
What are the key properties of 2-methyl-2-(propan-2-ylamino)-4-pyridin-2-ylsulfanylpentanamide?
2-methyl-2-(propan-2-ylamino)-4-pyridin-2-ylsulfanylpentanamide has a molecular weight of 281.43 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propan-2-ylamino)-4-pyridin-2-ylsulfanylpentanamide is sourced from PubChem (CID 64709128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).