2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylsulfonylbutanamide

C13H29N3O3S — CID 43098583

IUPAC2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylsulfonylbutanamide
SMILESCC(C)N(CCNC(=O)C(N)CCS(C)(=O)=O)C(C)C
InChIInChI=1S/C13H29N3O3S/c1-10(2)16(11(3)4)8-7-15-13(17)12(14)6-9-20(5,18)19/h10-12H,6-9,14H2,1-5H3,(H,15,17)
InChIKeyGEAYJWFGFVPSGQ-UHFFFAOYSA-N
MW307.46 g/mol
LogP-0.02
Rot. Bonds9

About 2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylsulfonylbutanamide

2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylsulfonylbutanamide (PubChem CID 43098583) has the molecular formula C13H29N3O3S and a molecular weight of 307.46 g/mol. Its IUPAC name is 2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylsulfonylbutanamide
PubChem CID43098583
Molecular FormulaC13H29N3O3S
Molecular Weight307.46 g/mol
Exact Mass307.19
IUPAC Name2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylsulfonylbutanamide
SMILESCC(C)N(CCNC(=O)C(N)CCS(C)(=O)=O)C(C)C
InChIInChI=1S/C13H29N3O3S/c1-10(2)16(11(3)4)8-7-15-13(17)12(14)6-9-20(5,18)19/h10-12H,6-9,14H2,1-5H3,(H,15,17)
InChIKeyGEAYJWFGFVPSGQ-UHFFFAOYSA-N
XLogP-0.02
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide
CID 103813236
2-amino-N-ethyl-4-methylsulfonylbutanamide
CID 24697380
2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methoxypentanamide
CID 81081228
2-amino-N-butyl-4-methylsulfonylbutanamide
CID 24690618
2-amino-N-[2-(dimethylamino)propyl]-4-methylsulfonylbutanamide
CID 54913489
2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-methoxypropanamide
CID 81081227
2-amino-N-(1-amino-1-oxopropan-2-yl)-4-methylsulfonylbutanamide
CID 43545601
2-amino-N-(4-hydroxy-2-methylbutyl)-4-methylsulfonylbutanamide
CID 66091622
2-amino-N-(2-methoxypropyl)-4-methylsulfonylbutanamide
CID 102694855
methyl 2-[(2-amino-4-methylsulfonylbutanoyl)amino]acetate
CID 60914301
2-amino-N-(2-hydroxy-4-methylpentyl)-4-methylsulfonylbutanamide
CID 103827722
2-amino-N-(3-methylsulfinylpropyl)-4-methylsulfonylbutanamide
CID 115751066

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylsulfonylbutanamide (CID 43098583) is 2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylsulfonylbutanamide is CC(C)N(CCNC(=O)C(N)CCS(C)(=O)=O)C(C)C.
What is the InChIKey of 2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylsulfonylbutanamide?
The InChIKey is GEAYJWFGFVPSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O3S/c1-10(2)16(11(3)4)8-7-15-13(17)12(14)6-9-20(5,18)19/h10-12H,6-9,14H2,1-5H3,(H,15,17).
What are the key properties of 2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylsulfonylbutanamide?
2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylsulfonylbutanamide has a molecular weight of 307.46 g/mol, XLogP of -0.02, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylsulfonylbutanamide is sourced from PubChem (CID 43098583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).