N-(2-aminoethyl)-4-methyl-4-sulfanylpentanamide

C8H18N2OS — CID 155135234

IUPACN-(2-aminoethyl)-4-methyl-4-sulfanylpentanamide
SMILESCC(C)(S)CCC(=O)NCCN
InChIInChI=1S/C8H18N2OS/c1-8(2,12)4-3-7(11)10-6-5-9/h12H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyCXBUYVNWUQUJJS-UHFFFAOYSA-N
MW190.31 g/mol
LogP0.55
Rot. Bonds5

About N-(2-aminoethyl)-4-methyl-4-sulfanylpentanamide

N-(2-aminoethyl)-4-methyl-4-sulfanylpentanamide (PubChem CID 155135234) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-methyl-4-sulfanylpentanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-methyl-4-sulfanylpentanamide
PubChem CID155135234
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC NameN-(2-aminoethyl)-4-methyl-4-sulfanylpentanamide
SMILESCC(C)(S)CCC(=O)NCCN
InChIInChI=1S/C8H18N2OS/c1-8(2,12)4-3-7(11)10-6-5-9/h12H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyCXBUYVNWUQUJJS-UHFFFAOYSA-N
XLogP0.55
TPSA55.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-aminoethylamino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 119382533
N-(2-aminoethyl)butanamide;ethane
CID 143117924
6-amino-4,4-dimethyl-N-(3,3,3-trifluoropropyl)hexanamide
CID 65291671
N-(3-methyl-3-sulfanylbutyl)tetradecanamide
CID 155454259
N-(2-aminoethyl)-2,2-dimethylpropanamide;hydrochloride
CID 47002886
6-amino-N-[4-(dimethylamino)butyl]-4,4-dimethylhexanamide
CID 65291456
3-amino-N-(5,5-dimethylhexyl)propanamide
CID 119318983
N-(2-aminoethyl)-5-hydroxy-3,3-dimethylpentanamide
CID 57198564
6-amino-N-but-3-ynyl-4,4-dimethylhexanamide
CID 65291291
6-amino-N-(6-hydroxyhexyl)-4,4-dimethylhexanamide
CID 107842588
N-[2-(diethylamino)ethyl]-4,4-dimethylpentanamide
CID 59170011
N-[2-(2,2-dimethylpropanoylamino)ethyl]-4,4-dimethylpentanamide
CID 155054535

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-methyl-4-sulfanylpentanamide?
The IUPAC name of N-(2-aminoethyl)-4-methyl-4-sulfanylpentanamide (CID 155135234) is N-(2-aminoethyl)-4-methyl-4-sulfanylpentanamide.
What is the SMILES notation for N-(2-aminoethyl)-4-methyl-4-sulfanylpentanamide?
The canonical SMILES for N-(2-aminoethyl)-4-methyl-4-sulfanylpentanamide is CC(C)(S)CCC(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-4-methyl-4-sulfanylpentanamide?
The InChIKey is CXBUYVNWUQUJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS/c1-8(2,12)4-3-7(11)10-6-5-9/h12H,3-6,9H2,1-2H3,(H,10,11).
What are the key properties of N-(2-aminoethyl)-4-methyl-4-sulfanylpentanamide?
N-(2-aminoethyl)-4-methyl-4-sulfanylpentanamide has a molecular weight of 190.31 g/mol, XLogP of 0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-methyl-4-sulfanylpentanamide is sourced from PubChem (CID 155135234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).