4-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)pentanamide

C12H18ClN3OS — CID 64703761

IUPAC4-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)pentanamide
SMILESCNC(C)(CC(C)Sc1ccc(Cl)cn1)C(N)=O
InChIInChI=1S/C12H18ClN3OS/c1-8(6-12(2,15-3)11(14)17)18-10-5-4-9(13)7-16-10/h4-5,7-8,15H,6H2,1-3H3,(H2,14,17)
InChIKeyUSXOVYJOUGMKMM-UHFFFAOYSA-N
MW287.82 g/mol
LogP2.07
Rot. Bonds6

About 4-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)pentanamide

4-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)pentanamide (PubChem CID 64703761) has the molecular formula C12H18ClN3OS and a molecular weight of 287.82 g/mol. Its IUPAC name is 4-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)pentanamide.

Molecular Properties

Compound Name4-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)pentanamide
PubChem CID64703761
Molecular FormulaC12H18ClN3OS
Molecular Weight287.82 g/mol
Exact Mass287.09
IUPAC Name4-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)pentanamide
SMILESCNC(C)(CC(C)Sc1ccc(Cl)cn1)C(N)=O
InChIInChI=1S/C12H18ClN3OS/c1-8(6-12(2,15-3)11(14)17)18-10-5-4-9(13)7-16-10/h4-5,7-8,15H,6H2,1-3H3,(H2,14,17)
InChIKeyUSXOVYJOUGMKMM-UHFFFAOYSA-N
XLogP2.07
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.82
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)pentanoic acid
CID 64703368
4-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64705170
4-[(5-chloro-2-pyridinyl)sulfanyl]-2-(cyclopropylamino)-2-methylpentanoic acid
CID 64704367
2-methyl-2-(methylamino)-4-(1,3-oxazol-2-ylsulfanyl)pentanamide
CID 106925063
2-methyl-2-(methylamino)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pentanoic acid
CID 64711456
2-methyl-2-(propan-2-ylamino)-4-pyridin-2-ylsulfanylpentanamide
CID 64709128
2-methyl-2-(methylamino)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentanamide
CID 64705307
3-[(5-chloro-2-pyridinyl)sulfanyl]-2-methylbutanehydrazide
CID 79405258
4-benzylsulfanyl-2-methyl-2-(methylamino)pentanamide
CID 64710846
4-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)pentanamide
CID 107771849
5-chloro-2-(3-methylbutan-2-ylsulfanyl)pyridine
CID 107754025
3-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)propan-1-ol
CID 64820200

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)pentanamide?
The IUPAC name of 4-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)pentanamide (CID 64703761) is 4-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)pentanamide.
What is the SMILES notation for 4-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)pentanamide?
The canonical SMILES for 4-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)pentanamide is CNC(C)(CC(C)Sc1ccc(Cl)cn1)C(N)=O.
What is the InChIKey of 4-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)pentanamide?
The InChIKey is USXOVYJOUGMKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3OS/c1-8(6-12(2,15-3)11(14)17)18-10-5-4-9(13)7-16-10/h4-5,7-8,15H,6H2,1-3H3,(H2,14,17).
What are the key properties of 4-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)pentanamide?
4-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)pentanamide has a molecular weight of 287.82 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)pentanamide is sourced from PubChem (CID 64703761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).