4-hydroxy-2-methyl-N-(2-methylpropyl)-2-(sulfanylamino)butanamide

C9H20N2O2S — CID 176948809

IUPAC4-hydroxy-2-methyl-N-(2-methylpropyl)-2-(sulfanylamino)butanamide
SMILESCC(C)CNC(=O)C(C)(CCO)NS
InChIInChI=1S/C9H20N2O2S/c1-7(2)6-10-8(13)9(3,11-14)4-5-12/h7,11-12,14H,4-6H2,1-3H3,(H,10,13)
InChIKeyDWKAQFHURHPLSA-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.33
Rot. Bonds6

About 4-hydroxy-2-methyl-N-(2-methylpropyl)-2-(sulfanylamino)butanamide

4-hydroxy-2-methyl-N-(2-methylpropyl)-2-(sulfanylamino)butanamide (PubChem CID 176948809) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-N-(2-methylpropyl)-2-(sulfanylamino)butanamide.

Molecular Properties

Compound Name4-hydroxy-2-methyl-N-(2-methylpropyl)-2-(sulfanylamino)butanamide
PubChem CID176948809
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name4-hydroxy-2-methyl-N-(2-methylpropyl)-2-(sulfanylamino)butanamide
SMILESCC(C)CNC(=O)C(C)(CCO)NS
InChIInChI=1S/C9H20N2O2S/c1-7(2)6-10-8(13)9(3,11-14)4-5-12/h7,11-12,14H,4-6H2,1-3H3,(H,10,13)
InChIKeyDWKAQFHURHPLSA-UHFFFAOYSA-N
XLogP0.33
TPSA61.36 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(4-Hydroxybutanoylamino)butanamide
CID 141421302
N~1~,N~2~-diisopropylhomoserinamide
CID 15486717
2-amino-3,3,3-trifluoro-N-(4-hydroxy-2-methylbutyl)-2-methylpropanamide
CID 79811034
(2S)-2-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide
CID 11183292
2-amino-N-(4-hydroxybutan-2-yl)-2-methylpropanamide
CID 17990505
4-hydroxy-N-[2-(2-methylbutylamino)ethyl]butanamide
CID 20668910
2-acetamido-4-hydroxy-N-(2-methylpropyl)butanamide
CID 20735561
N-(2-aminoethyl)-4-hydroxy-2-methylbutanamide
CID 53795544
N-(2-amino-2-methylpropyl)-4-hydroxybutanamide
CID 57069087
3-(2-Hydroxyethyl)-3-methylpiperazin-2-one
CID 68685158
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide
CID 79250517
(2S)-2-amino-N-[2-(3-hydroxypropylamino)-2-oxoethyl]-3-methylbutanamide
CID 82961364

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-N-(2-methylpropyl)-2-(sulfanylamino)butanamide?
The IUPAC name of 4-hydroxy-2-methyl-N-(2-methylpropyl)-2-(sulfanylamino)butanamide (CID 176948809) is 4-hydroxy-2-methyl-N-(2-methylpropyl)-2-(sulfanylamino)butanamide.
What is the SMILES notation for 4-hydroxy-2-methyl-N-(2-methylpropyl)-2-(sulfanylamino)butanamide?
The canonical SMILES for 4-hydroxy-2-methyl-N-(2-methylpropyl)-2-(sulfanylamino)butanamide is CC(C)CNC(=O)C(C)(CCO)NS.
What is the InChIKey of 4-hydroxy-2-methyl-N-(2-methylpropyl)-2-(sulfanylamino)butanamide?
The InChIKey is DWKAQFHURHPLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-7(2)6-10-8(13)9(3,11-14)4-5-12/h7,11-12,14H,4-6H2,1-3H3,(H,10,13).
What are the key properties of 4-hydroxy-2-methyl-N-(2-methylpropyl)-2-(sulfanylamino)butanamide?
4-hydroxy-2-methyl-N-(2-methylpropyl)-2-(sulfanylamino)butanamide has a molecular weight of 220.34 g/mol, XLogP of 0.33, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-N-(2-methylpropyl)-2-(sulfanylamino)butanamide is sourced from PubChem (CID 176948809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).