N-(2-aminoethyl)-N-methyl-3-sulfanylpropanamide

C6H14N2OS — CID 117126542

IUPACN-(2-aminoethyl)-N-methyl-3-sulfanylpropanamide
SMILESCN(CCN)C(=O)CCS
InChIInChI=1S/C6H14N2OS/c1-8(4-3-7)6(9)2-5-10/h10H,2-5,7H2,1H3
InChIKeyCWAVJQKXXYAKDO-UHFFFAOYSA-N
MW162.26 g/mol
LogP-0.28
Rot. Bonds4

About N-(2-aminoethyl)-N-methyl-3-sulfanylpropanamide

N-(2-aminoethyl)-N-methyl-3-sulfanylpropanamide (PubChem CID 117126542) has the molecular formula C6H14N2OS and a molecular weight of 162.26 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-methyl-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-methyl-3-sulfanylpropanamide
PubChem CID117126542
Molecular FormulaC6H14N2OS
Molecular Weight162.26 g/mol
Exact Mass162.08
IUPAC NameN-(2-aminoethyl)-N-methyl-3-sulfanylpropanamide
SMILESCN(CCN)C(=O)CCS
InChIInChI=1S/C6H14N2OS/c1-8(4-3-7)6(9)2-5-10/h10H,2-5,7H2,1H3
InChIKeyCWAVJQKXXYAKDO-UHFFFAOYSA-N
XLogP-0.28
TPSA46.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 5-0.28
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

N-(2-hydroxypropyl)-N-methyl-3-sulfanylpropanamide
CID 107028266
methyl 3-[2-aminoethyl(methyl)amino]-3-oxopropanoate
CID 117126525
N-(2-aminoethyl)-2-ethoxy-N-methylacetamide
CID 61350460
3-[3-(3-aminopropylsulfanyl)propylsulfanyl]-N-methyl-N-[3-(3-sulfanylpropylsulfanyl)propyl]propanamide
CID 148563347
N-(2-aminoethyl)-N-methylcarbamoyl iodide
CID 147395077
N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-sulfanylpropanamide
CID 107022688
N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-sulfanylpropanamide
CID 107032708
N-methyl-3-sulfanyl-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
CID 115168083
N-(3-aminopropyl)-N-methyldecanamide
CID 65447774
N-(3-aminopropyl)-N-methylheptanamide
CID 115737512
N-(3-aminopropyl)-N-methyloctanamide
CID 43125160
3-amino-N-(2-ethoxyethyl)-N-methylpropanamide
CID 81058300

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-methyl-3-sulfanylpropanamide?
The IUPAC name of N-(2-aminoethyl)-N-methyl-3-sulfanylpropanamide (CID 117126542) is N-(2-aminoethyl)-N-methyl-3-sulfanylpropanamide.
What is the SMILES notation for N-(2-aminoethyl)-N-methyl-3-sulfanylpropanamide?
The canonical SMILES for N-(2-aminoethyl)-N-methyl-3-sulfanylpropanamide is CN(CCN)C(=O)CCS.
What is the InChIKey of N-(2-aminoethyl)-N-methyl-3-sulfanylpropanamide?
The InChIKey is CWAVJQKXXYAKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2OS/c1-8(4-3-7)6(9)2-5-10/h10H,2-5,7H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-methyl-3-sulfanylpropanamide?
N-(2-aminoethyl)-N-methyl-3-sulfanylpropanamide has a molecular weight of 162.26 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-methyl-3-sulfanylpropanamide is sourced from PubChem (CID 117126542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).