2-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pent-4-ynamide

C10H18N2O2S — CID 106161524

IUPAC2-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pent-4-ynamide
SMILESC#CCC(N)C(=O)NC(C)C(CO)SC
InChIInChI=1S/C10H18N2O2S/c1-4-5-8(11)10(14)12-7(2)9(6-13)15-3/h1,7-9,13H,5-6,11H2,2-3H3,(H,12,14)
InChIKeyPQXSBVDSAYLUFC-UHFFFAOYSA-N
MW230.33 g/mol
LogP-0.43
Rot. Bonds6

About 2-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pent-4-ynamide

2-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pent-4-ynamide (PubChem CID 106161524) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 2-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pent-4-ynamide.

Molecular Properties

Compound Name2-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pent-4-ynamide
PubChem CID106161524
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name2-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pent-4-ynamide
SMILESC#CCC(N)C(=O)NC(C)C(CO)SC
InChIInChI=1S/C10H18N2O2S/c1-4-5-8(11)10(14)12-7(2)9(6-13)15-3/h1,7-9,13H,5-6,11H2,2-3H3,(H,12,14)
InChIKeyPQXSBVDSAYLUFC-UHFFFAOYSA-N
XLogP-0.43
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylbutanamide
CID 103798799
3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methoxypropanamide
CID 106161500
2-cyclopropyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 103801532
3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylpentanamide
CID 106161596
(2S)-2-amino-4-methylsulfanyl-N-pent-4-yn-2-ylbutanamide
CID 103950389
2-amino-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide
CID 106162327
2-(2-chlorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
CID 103798755
3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)hexanamide
CID 106161631
1-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide
CID 106161442
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(propan-2-ylamino)propanamide
CID 106161447
(2S)-2-amino-N-propylpent-4-ynamide
CID 82668022
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methylbut-2-enamide
CID 103798990

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pent-4-ynamide?
The IUPAC name of 2-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pent-4-ynamide (CID 106161524) is 2-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pent-4-ynamide.
What is the SMILES notation for 2-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pent-4-ynamide?
The canonical SMILES for 2-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pent-4-ynamide is C#CCC(N)C(=O)NC(C)C(CO)SC.
What is the InChIKey of 2-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pent-4-ynamide?
The InChIKey is PQXSBVDSAYLUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-4-5-8(11)10(14)12-7(2)9(6-13)15-3/h1,7-9,13H,5-6,11H2,2-3H3,(H,12,14).
What are the key properties of 2-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pent-4-ynamide?
2-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pent-4-ynamide has a molecular weight of 230.33 g/mol, XLogP of -0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pent-4-ynamide is sourced from PubChem (CID 106161524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).