N-butan-2-yl-2-(3-methylsulfanylpropylamino)acetamide

C10H22N2OS — CID 63964905

IUPACN-butan-2-yl-2-(3-methylsulfanylpropylamino)acetamide
SMILESCCC(C)NC(=O)CNCCCSC
InChIInChI=1S/C10H22N2OS/c1-4-9(2)12-10(13)8-11-6-5-7-14-3/h9,11H,4-8H2,1-3H3,(H,12,13)
InChIKeyRCGZZXCVKYNBOI-UHFFFAOYSA-N
MW218.37 g/mol
LogP1.24
Rot. Bonds8

About N-butan-2-yl-2-(3-methylsulfanylpropylamino)acetamide

N-butan-2-yl-2-(3-methylsulfanylpropylamino)acetamide (PubChem CID 63964905) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is N-butan-2-yl-2-(3-methylsulfanylpropylamino)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(3-methylsulfanylpropylamino)acetamide
PubChem CID63964905
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC NameN-butan-2-yl-2-(3-methylsulfanylpropylamino)acetamide
SMILESCCC(C)NC(=O)CNCCCSC
InChIInChI=1S/C10H22N2OS/c1-4-9(2)12-10(13)8-11-6-5-7-14-3/h9,11H,4-8H2,1-3H3,(H,12,13)
InChIKeyRCGZZXCVKYNBOI-UHFFFAOYSA-N
XLogP1.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylsulfanylpropylamino)-N-pentan-3-ylacetamide
CID 63964494
N-butan-2-yl-2-(octylamino)acetamide
CID 78914360
N-butan-2-yl-2-[2-(dimethylamino)ethylamino]acetamide
CID 43180189
N-(cyanomethyl)-2-(3-methylsulfanylpropylamino)acetamide
CID 63964920
N-butan-2-yl-2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetamide
CID 113219551
N-[2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide
CID 113219499
2-[2-(3-hydroxypropylsulfanyl)ethylamino]-N-pentan-2-ylacetamide
CID 114171847
ethyl 2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetate
CID 60811242
N-butan-2-yl-2-(2,2-dimethylbutylamino)acetamide
CID 103461294
N-butan-2-yl-2-(5-methylsulfanylpentylamino)propanamide
CID 114127259
1-[2-(3-methylsulfanylpropylamino)acetyl]piperidine-4-carboxylic acid
CID 103252031
2-(5-methylsulfanylpentylamino)-1-piperidin-1-ylethanone
CID 114127342

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(3-methylsulfanylpropylamino)acetamide?
The IUPAC name of N-butan-2-yl-2-(3-methylsulfanylpropylamino)acetamide (CID 63964905) is N-butan-2-yl-2-(3-methylsulfanylpropylamino)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(3-methylsulfanylpropylamino)acetamide?
The canonical SMILES for N-butan-2-yl-2-(3-methylsulfanylpropylamino)acetamide is CCC(C)NC(=O)CNCCCSC.
What is the InChIKey of N-butan-2-yl-2-(3-methylsulfanylpropylamino)acetamide?
The InChIKey is RCGZZXCVKYNBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-4-9(2)12-10(13)8-11-6-5-7-14-3/h9,11H,4-8H2,1-3H3,(H,12,13).
What are the key properties of N-butan-2-yl-2-(3-methylsulfanylpropylamino)acetamide?
N-butan-2-yl-2-(3-methylsulfanylpropylamino)acetamide has a molecular weight of 218.37 g/mol, XLogP of 1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(3-methylsulfanylpropylamino)acetamide is sourced from PubChem (CID 63964905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).