2-[propan-2-yl(3-sulfanylbutyl)amino]acetamide

C9H20N2OS — CID 170206201

IUPAC2-[propan-2-yl(3-sulfanylbutyl)amino]acetamide
SMILESCC(S)CCN(CC(N)=O)C(C)C
InChIInChI=1S/C9H20N2OS/c1-7(2)11(6-9(10)12)5-4-8(3)13/h7-8,13H,4-6H2,1-3H3,(H2,10,12)
InChIKeyMEQDFSIMVLJVGP-UHFFFAOYSA-N
MW204.34 g/mol
LogP0.89
Rot. Bonds6

About 2-[propan-2-yl(3-sulfanylbutyl)amino]acetamide

2-[propan-2-yl(3-sulfanylbutyl)amino]acetamide (PubChem CID 170206201) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is 2-[propan-2-yl(3-sulfanylbutyl)amino]acetamide.

Molecular Properties

Compound Name2-[propan-2-yl(3-sulfanylbutyl)amino]acetamide
PubChem CID170206201
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC Name2-[propan-2-yl(3-sulfanylbutyl)amino]acetamide
SMILESCC(S)CCN(CC(N)=O)C(C)C
InChIInChI=1S/C9H20N2OS/c1-7(2)11(6-9(10)12)5-4-8(3)13/h7-8,13H,4-6H2,1-3H3,(H2,10,12)
InChIKeyMEQDFSIMVLJVGP-UHFFFAOYSA-N
XLogP0.89
TPSA46.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-aminoethyl(propan-2-yl)amino]acetamide
CID 61348378
2-[ethyl(propan-2-yl)amino]acetamide
CID 22371770
1-[propan-2-yl(propyl)amino]propan-2-one
CID 43795396
2-[propan-2-yl(sulfamoyl)amino]acetamide
CID 112684098
2-[(6-amino-5,5-dimethylhexyl)-propan-2-ylamino]acetamide
CID 106708016
3-[(2-amino-2-oxoethyl)-propan-2-ylamino]-N-(3-aminopropyl)-N-methylpropanamide
CID 54988932
potassium [(2-amino-2-oxoethyl)-propan-2-ylamino]methyl-trifluoroboranuide
CID 63703594
1-[3-aminopropyl(propan-2-yl)amino]propan-2-one
CID 89029623
2-[(2-amino-2-oxoethyl)-(1-amino-1-sulfanylidenepropan-2-yl)amino]acetamide
CID 62922956
1-[2-oxopropyl(propan-2-yl)amino]propan-2-one
CID 59404270
methyl 2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-oxoacetate
CID 112616986
2-[2-piperidin-3-ylethyl(propan-2-yl)amino]acetamide
CID 62357032

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl(3-sulfanylbutyl)amino]acetamide?
The IUPAC name of 2-[propan-2-yl(3-sulfanylbutyl)amino]acetamide (CID 170206201) is 2-[propan-2-yl(3-sulfanylbutyl)amino]acetamide.
What is the SMILES notation for 2-[propan-2-yl(3-sulfanylbutyl)amino]acetamide?
The canonical SMILES for 2-[propan-2-yl(3-sulfanylbutyl)amino]acetamide is CC(S)CCN(CC(N)=O)C(C)C.
What is the InChIKey of 2-[propan-2-yl(3-sulfanylbutyl)amino]acetamide?
The InChIKey is MEQDFSIMVLJVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-7(2)11(6-9(10)12)5-4-8(3)13/h7-8,13H,4-6H2,1-3H3,(H2,10,12).
What are the key properties of 2-[propan-2-yl(3-sulfanylbutyl)amino]acetamide?
2-[propan-2-yl(3-sulfanylbutyl)amino]acetamide has a molecular weight of 204.34 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl(3-sulfanylbutyl)amino]acetamide is sourced from PubChem (CID 170206201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).