N-(1-amino-2,4-dimethylpentan-2-yl)-2-(thian-4-yl)acetamide

C14H28N2OS — CID 83138084

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-2-(thian-4-yl)acetamide
SMILESCC(C)CC(C)(CN)NC(=O)CC1CCSCC1
InChIInChI=1S/C14H28N2OS/c1-11(2)9-14(3,10-15)16-13(17)8-12-4-6-18-7-5-12/h11-12H,4-10,15H2,1-3H3,(H,16,17)
InChIKeyYYIDXZXRRRJANR-UHFFFAOYSA-N
MW272.46 g/mol
LogP2.40
Rot. Bonds6

About N-(1-amino-2,4-dimethylpentan-2-yl)-2-(thian-4-yl)acetamide

N-(1-amino-2,4-dimethylpentan-2-yl)-2-(thian-4-yl)acetamide (PubChem CID 83138084) has the molecular formula C14H28N2OS and a molecular weight of 272.46 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-2-(thian-4-yl)acetamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-(thian-4-yl)acetamide
PubChem CID83138084
Molecular FormulaC14H28N2OS
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-(thian-4-yl)acetamide
SMILESCC(C)CC(C)(CN)NC(=O)CC1CCSCC1
InChIInChI=1S/C14H28N2OS/c1-11(2)9-14(3,10-15)16-13(17)8-12-4-6-18-7-5-12/h11-12H,4-10,15H2,1-3H3,(H,16,17)
InChIKeyYYIDXZXRRRJANR-UHFFFAOYSA-N
XLogP2.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(thian-4-yl)acetamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(thian-4-yl)acetamide (CID 83138084) is N-(1-amino-2,4-dimethylpentan-2-yl)-2-(thian-4-yl)acetamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(thian-4-yl)acetamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(thian-4-yl)acetamide is CC(C)CC(C)(CN)NC(=O)CC1CCSCC1.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(thian-4-yl)acetamide?
The InChIKey is YYIDXZXRRRJANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS/c1-11(2)9-14(3,10-15)16-13(17)8-12-4-6-18-7-5-12/h11-12H,4-10,15H2,1-3H3,(H,16,17).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(thian-4-yl)acetamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(thian-4-yl)acetamide has a molecular weight of 272.46 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(thian-4-yl)acetamide is sourced from PubChem (CID 83138084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).