4-amino-N-ethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide

C11H25N3OS — CID 112658549

IUPAC4-amino-N-ethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide
SMILESCCNC(=O)CC(CN)N(C)C(C)CSC
InChIInChI=1S/C11H25N3OS/c1-5-13-11(15)6-10(7-12)14(3)9(2)8-16-4/h9-10H,5-8,12H2,1-4H3,(H,13,15)
InChIKeyQKVHHVZYWCJZFQ-UHFFFAOYSA-N
MW247.41 g/mol
LogP0.52
Rot. Bonds8

About 4-amino-N-ethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide

4-amino-N-ethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide (PubChem CID 112658549) has the molecular formula C11H25N3OS and a molecular weight of 247.41 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide
PubChem CID112658549
Molecular FormulaC11H25N3OS
Molecular Weight247.41 g/mol
Exact Mass247.17
IUPAC Name4-amino-N-ethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide
SMILESCCNC(=O)CC(CN)N(C)C(C)CSC
InChIInChI=1S/C11H25N3OS/c1-5-13-11(15)6-10(7-12)14(3)9(2)8-16-4/h9-10H,5-8,12H2,1-4H3,(H,13,15)
InChIKeyQKVHHVZYWCJZFQ-UHFFFAOYSA-N
XLogP0.52
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-[butan-2-yl(ethyl)amino]-N-ethylbutanamide
CID 66428428
4-amino-N-ethyl-3-[(2-methoxyphenyl)methyl-methylamino]butanamide
CID 66428224
4-amino-3-[butan-2-yl(methyl)amino]butanamide
CID 66426678
4-amino-3-[3-(diethylamino)propyl-ethylamino]-N-ethylbutanamide
CID 102992088
4-amino-3-[cyclobutylmethyl(ethyl)amino]-N-ethylbutanamide
CID 107397676
4-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-N-propylbutanamide
CID 103188233
4-amino-3-[butan-2-yl(ethyl)amino]-N-propylbutanamide
CID 66426959
3-[methyl(1-methylsulfanylpropan-2-yl)amino]butan-2-ol
CID 112663299
4-amino-3-[1-(3-chlorophenyl)ethyl-methylamino]-N-propylbutanamide
CID 66428887
3-(1-aminopropan-2-ylsulfanyl)-N-ethylpropanamide
CID 66218369
2-[methyl(1-methylsulfanylpropan-2-yl)amino]butanoic acid
CID 112661600
bis((2R)-N,N-dimethyl-1-methylsulfanylpropan-2-amine);molecular oxygen
CID 157248032

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide?
The IUPAC name of 4-amino-N-ethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide (CID 112658549) is 4-amino-N-ethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide.
What is the SMILES notation for 4-amino-N-ethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide?
The canonical SMILES for 4-amino-N-ethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide is CCNC(=O)CC(CN)N(C)C(C)CSC.
What is the InChIKey of 4-amino-N-ethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide?
The InChIKey is QKVHHVZYWCJZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3OS/c1-5-13-11(15)6-10(7-12)14(3)9(2)8-16-4/h9-10H,5-8,12H2,1-4H3,(H,13,15).
What are the key properties of 4-amino-N-ethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide?
4-amino-N-ethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide has a molecular weight of 247.41 g/mol, XLogP of 0.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide is sourced from PubChem (CID 112658549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).