2-(3-methylsulfanylpropylamino)-N-pentan-3-ylacetamide

C11H24N2OS — CID 63964494

IUPAC2-(3-methylsulfanylpropylamino)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CNCCCSC
InChIInChI=1S/C11H24N2OS/c1-4-10(5-2)13-11(14)9-12-7-6-8-15-3/h10,12H,4-9H2,1-3H3,(H,13,14)
InChIKeyMNTYPMSJJDVEOQ-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.63
Rot. Bonds9

About 2-(3-methylsulfanylpropylamino)-N-pentan-3-ylacetamide

2-(3-methylsulfanylpropylamino)-N-pentan-3-ylacetamide (PubChem CID 63964494) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is 2-(3-methylsulfanylpropylamino)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(3-methylsulfanylpropylamino)-N-pentan-3-ylacetamide
PubChem CID63964494
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name2-(3-methylsulfanylpropylamino)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CNCCCSC
InChIInChI=1S/C11H24N2OS/c1-4-10(5-2)13-11(14)9-12-7-6-8-15-3/h10,12H,4-9H2,1-3H3,(H,13,14)
InChIKeyMNTYPMSJJDVEOQ-UHFFFAOYSA-N
XLogP1.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.63
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

N-butan-2-yl-2-(3-methylsulfanylpropylamino)acetamide
CID 63964905
2-(3-aminopropylamino)-N-pentan-3-ylacetamide
CID 62273335
N-pentan-3-yl-2-(2-prop-2-ynylsulfanylethylamino)acetamide
CID 106428897
N-butan-2-yl-2-(octylamino)acetamide
CID 78914360
N-(cyanomethyl)-2-(3-methylsulfanylpropylamino)acetamide
CID 63964920
tert-butyl N-[1-(3-methylsulfanylpropylamino)butan-2-yl]carbamate
CID 107250110
N-pentan-3-yl-2-(2-phenylethylamino)acetamide
CID 60671321
4-methyl-6-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]hexanoic acid
CID 65287842
2-(5-methylsulfanylpentylamino)-N-pentan-3-ylpropanamide
CID 114127230
N-cycloheptyl-2-(3-methylsulfanylpropylamino)acetamide
CID 63964270
2-(2-methoxyethylamino)-N-(3-methylsulfanylpropyl)acetamide
CID 79282456
2-amino-N-(1-methylsulfanylpentan-3-yl)acetamide
CID 58388308

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfanylpropylamino)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(3-methylsulfanylpropylamino)-N-pentan-3-ylacetamide (CID 63964494) is 2-(3-methylsulfanylpropylamino)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(3-methylsulfanylpropylamino)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(3-methylsulfanylpropylamino)-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CNCCCSC.
What is the InChIKey of 2-(3-methylsulfanylpropylamino)-N-pentan-3-ylacetamide?
The InChIKey is MNTYPMSJJDVEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-4-10(5-2)13-11(14)9-12-7-6-8-15-3/h10,12H,4-9H2,1-3H3,(H,13,14).
What are the key properties of 2-(3-methylsulfanylpropylamino)-N-pentan-3-ylacetamide?
2-(3-methylsulfanylpropylamino)-N-pentan-3-ylacetamide has a molecular weight of 232.39 g/mol, XLogP of 1.63, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfanylpropylamino)-N-pentan-3-ylacetamide is sourced from PubChem (CID 63964494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).