(2R)-2-amino-N-[6-(dimethylamino)-3-pyridinyl]-4-methylsulfonylbutanamide

C12H20N4O3S — CID 146149113

IUPAC(2R)-2-amino-N-[6-(dimethylamino)-3-pyridinyl]-4-methylsulfonylbutanamide
SMILESCN(C)c1ccc(NC(=O)[C@H](N)CCS(C)(=O)=O)cn1
InChIInChI=1S/C12H20N4O3S/c1-16(2)11-5-4-9(8-14-11)15-12(17)10(13)6-7-20(3,18)19/h4-5,8,10H,6-7,13H2,1-3H3,(H,15,17)/t10-/m1/s1
InChIKeySIMCUTPKTRYYRU-SNVBAGLBSA-N
MW300.38 g/mol
LogP-0.15
Rot. Bonds6

About (2R)-2-amino-N-[6-(dimethylamino)-3-pyridinyl]-4-methylsulfonylbutanamide

(2R)-2-amino-N-[6-(dimethylamino)-3-pyridinyl]-4-methylsulfonylbutanamide (PubChem CID 146149113) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is (2R)-2-amino-N-[6-(dimethylamino)-3-pyridinyl]-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[6-(dimethylamino)-3-pyridinyl]-4-methylsulfonylbutanamide
PubChem CID146149113
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name(2R)-2-amino-N-[6-(dimethylamino)-3-pyridinyl]-4-methylsulfonylbutanamide
SMILESCN(C)c1ccc(NC(=O)[C@H](N)CCS(C)(=O)=O)cn1
InChIInChI=1S/C12H20N4O3S/c1-16(2)11-5-4-9(8-14-11)15-12(17)10(13)6-7-20(3,18)19/h4-5,8,10H,6-7,13H2,1-3H3,(H,15,17)/t10-/m1/s1
InChIKeySIMCUTPKTRYYRU-SNVBAGLBSA-N
XLogP-0.15
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-5-[[6-(dimethylamino)-3-pyridinyl]amino]-5-oxopentanoic acid
CID 64894459
N-(4-acetamidophenyl)-2-amino-4-methylsulfonylbutanamide
CID 43109034
2-amino-N-[6-(dimethylamino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 106312117
4-[(2-amino-4-methylsulfonylbutanoyl)amino]-N-methylbenzamide
CID 43702745
2-amino-4-methylsulfonyl-N-(4-propan-2-yloxyphenyl)butanamide
CID 43123167
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylsulfonylbutanamide
CID 43101935
3-amino-N-[6-(dimethylamino)-3-pyridinyl]-2-phenylpropanamide
CID 62876785
2-amino-N-(3,5-dimethylphenyl)-4-methylsulfonylbutanamide
CID 24702867
2-amino-N-(3-fluoro-4-methylphenyl)-4-methylsulfonylbutanamide
CID 24699608
2-amino-N-(3,5-dichlorophenyl)-4-methylsulfonylbutanamide
CID 43094521
2-amino-N-(3-methoxyphenyl)-4-methylsulfonylbutanamide
CID 24711240
(2S)-2-amino-4-methylsulfanyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide;dihydrochloride
CID 119854939

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[6-(dimethylamino)-3-pyridinyl]-4-methylsulfonylbutanamide?
The IUPAC name of (2R)-2-amino-N-[6-(dimethylamino)-3-pyridinyl]-4-methylsulfonylbutanamide (CID 146149113) is (2R)-2-amino-N-[6-(dimethylamino)-3-pyridinyl]-4-methylsulfonylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[6-(dimethylamino)-3-pyridinyl]-4-methylsulfonylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[6-(dimethylamino)-3-pyridinyl]-4-methylsulfonylbutanamide is CN(C)c1ccc(NC(=O)[C@H](N)CCS(C)(=O)=O)cn1.
What is the InChIKey of (2R)-2-amino-N-[6-(dimethylamino)-3-pyridinyl]-4-methylsulfonylbutanamide?
The InChIKey is SIMCUTPKTRYYRU-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-16(2)11-5-4-9(8-14-11)15-12(17)10(13)6-7-20(3,18)19/h4-5,8,10H,6-7,13H2,1-3H3,(H,15,17)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N-[6-(dimethylamino)-3-pyridinyl]-4-methylsulfonylbutanamide?
(2R)-2-amino-N-[6-(dimethylamino)-3-pyridinyl]-4-methylsulfonylbutanamide has a molecular weight of 300.38 g/mol, XLogP of -0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[6-(dimethylamino)-3-pyridinyl]-4-methylsulfonylbutanamide is sourced from PubChem (CID 146149113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).