2-amino-N-[2-(dimethylamino)propyl]-4-methylsulfonylbutanamide

C10H23N3O3S — CID 54913489

IUPAC2-amino-N-[2-(dimethylamino)propyl]-4-methylsulfonylbutanamide
SMILESCC(CNC(=O)C(N)CCS(C)(=O)=O)N(C)C
InChIInChI=1S/C10H23N3O3S/c1-8(13(2)3)7-12-10(14)9(11)5-6-17(4,15)16/h8-9H,5-7,11H2,1-4H3,(H,12,14)
InChIKeyHAPYGJZSPMPPDL-UHFFFAOYSA-N
MW265.38 g/mol
LogP-1.19
Rot. Bonds7

About 2-amino-N-[2-(dimethylamino)propyl]-4-methylsulfonylbutanamide

2-amino-N-[2-(dimethylamino)propyl]-4-methylsulfonylbutanamide (PubChem CID 54913489) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)propyl]-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)propyl]-4-methylsulfonylbutanamide
PubChem CID54913489
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC Name2-amino-N-[2-(dimethylamino)propyl]-4-methylsulfonylbutanamide
SMILESCC(CNC(=O)C(N)CCS(C)(=O)=O)N(C)C
InChIInChI=1S/C10H23N3O3S/c1-8(13(2)3)7-12-10(14)9(11)5-6-17(4,15)16/h8-9H,5-7,11H2,1-4H3,(H,12,14)
InChIKeyHAPYGJZSPMPPDL-UHFFFAOYSA-N
XLogP-1.19
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-(dimethylamino)propyl]hexanamide
CID 61043686
2-amino-N-ethyl-4-methylsulfonylbutanamide
CID 24697380
2-amino-N-(2-methoxypropyl)-4-methylsulfonylbutanamide
CID 102694855
2-amino-N-(4-hydroxy-2-methylbutyl)-4-methylsulfonylbutanamide
CID 66091622
2-amino-N-(2-hydroxy-4-methylpentyl)-4-methylsulfonylbutanamide
CID 103827722
2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylsulfonylbutanamide
CID 43098583
2-amino-N-(2,3-dihydroxypropyl)-4-methylsulfonylbutanamide
CID 66168706
2-amino-N-butyl-4-methylsulfonylbutanamide
CID 24690618
(3S)-3-[[(2-amino-4-methylsulfonylbutanoyl)amino]methyl]-5-methylhexanoic acid
CID 65494336
3-[(2-amino-4-methylsulfonylbutanoyl)amino]-2,2-dimethylpropanoic acid
CID 113307979
2-amino-N-(2,2-diphenylethyl)-4-methylsulfonylbutanamide
CID 119956068
methyl 2-[(2-amino-4-methylsulfonylbutanoyl)amino]acetate
CID 60914301

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)propyl]-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-[2-(dimethylamino)propyl]-4-methylsulfonylbutanamide (CID 54913489) is 2-amino-N-[2-(dimethylamino)propyl]-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)propyl]-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)propyl]-4-methylsulfonylbutanamide is CC(CNC(=O)C(N)CCS(C)(=O)=O)N(C)C.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)propyl]-4-methylsulfonylbutanamide?
The InChIKey is HAPYGJZSPMPPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-8(13(2)3)7-12-10(14)9(11)5-6-17(4,15)16/h8-9H,5-7,11H2,1-4H3,(H,12,14).
What are the key properties of 2-amino-N-[2-(dimethylamino)propyl]-4-methylsulfonylbutanamide?
2-amino-N-[2-(dimethylamino)propyl]-4-methylsulfonylbutanamide has a molecular weight of 265.38 g/mol, XLogP of -1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)propyl]-4-methylsulfonylbutanamide is sourced from PubChem (CID 54913489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).