2-(dimethylamino)-N-[(2S)-1-[[(2S,3R)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide

C15H32N4O5S — CID 54559843

IUPAC2-(dimethylamino)-N-[(2S)-1-[[(2S,3R)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide
SMILESC[C@H](NC(=O)C(C)(C)N(C)C)C(=O)N[C@@H](C)[C@H](O)CN(C)S(C)(=O)=O
InChIInChI=1S/C15H32N4O5S/c1-10(12(20)9-19(7)25(8,23)24)16-13(21)11(2)17-14(22)15(3,4)18(5)6/h10-12,20H,9H2,1-8H3,(H,16,21)(H,17,22)/t10-,11-,12+/m0/s1
InChIKeyZPTKANHFVIMADH-SDDRHHMPSA-N
MW380.51 g/mol
LogP-1.41
Rot. Bonds9

About 2-(dimethylamino)-N-[(2S)-1-[[(2S,3R)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide

2-(dimethylamino)-N-[(2S)-1-[[(2S,3R)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide (PubChem CID 54559843) has the molecular formula C15H32N4O5S and a molecular weight of 380.51 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[(2S)-1-[[(2S,3R)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[(2S)-1-[[(2S,3R)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide
PubChem CID54559843
Molecular FormulaC15H32N4O5S
Molecular Weight380.51 g/mol
Exact Mass380.21
IUPAC Name2-(dimethylamino)-N-[(2S)-1-[[(2S,3R)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide
SMILESC[C@H](NC(=O)C(C)(C)N(C)C)C(=O)N[C@@H](C)[C@H](O)CN(C)S(C)(=O)=O
InChIInChI=1S/C15H32N4O5S/c1-10(12(20)9-19(7)25(8,23)24)16-13(21)11(2)17-14(22)15(3,4)18(5)6/h10-12,20H,9H2,1-8H3,(H,16,21)(H,17,22)/t10-,11-,12+/m0/s1
InChIKeyZPTKANHFVIMADH-SDDRHHMPSA-N
XLogP-1.41
TPSA119.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[(2S)-1-[[(2S,3R)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide?
The IUPAC name of 2-(dimethylamino)-N-[(2S)-1-[[(2S,3R)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide (CID 54559843) is 2-(dimethylamino)-N-[(2S)-1-[[(2S,3R)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide.
What is the SMILES notation for 2-(dimethylamino)-N-[(2S)-1-[[(2S,3R)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide?
The canonical SMILES for 2-(dimethylamino)-N-[(2S)-1-[[(2S,3R)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide is C[C@H](NC(=O)C(C)(C)N(C)C)C(=O)N[C@@H](C)[C@H](O)CN(C)S(C)(=O)=O.
What is the InChIKey of 2-(dimethylamino)-N-[(2S)-1-[[(2S,3R)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide?
The InChIKey is ZPTKANHFVIMADH-SDDRHHMPSA-N. The full InChI is InChI=1S/C15H32N4O5S/c1-10(12(20)9-19(7)25(8,23)24)16-13(21)11(2)17-14(22)15(3,4)18(5)6/h10-12,20H,9H2,1-8H3,(H,16,21)(H,17,22)/t10-,11-,12+/m0/s1.
What are the key properties of 2-(dimethylamino)-N-[(2S)-1-[[(2S,3R)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide?
2-(dimethylamino)-N-[(2S)-1-[[(2S,3R)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide has a molecular weight of 380.51 g/mol, XLogP of -1.41, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[(2S)-1-[[(2S,3R)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 54559843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).