N-[2-(aminomethylsulfanyl)ethyl]-2,2-dimethylpropanamide

C8H18N2OS — CID 167237901

IUPACN-[2-(aminomethylsulfanyl)ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCSCN
InChIInChI=1S/C8H18N2OS/c1-8(2,3)7(11)10-4-5-12-6-9/h4-6,9H2,1-3H3,(H,10,11)
InChIKeyXDAUQHKNSFYBHB-UHFFFAOYSA-N
MW190.31 g/mol
LogP0.80
Rot. Bonds4

About N-[2-(aminomethylsulfanyl)ethyl]-2,2-dimethylpropanamide

N-[2-(aminomethylsulfanyl)ethyl]-2,2-dimethylpropanamide (PubChem CID 167237901) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is N-[2-(aminomethylsulfanyl)ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(aminomethylsulfanyl)ethyl]-2,2-dimethylpropanamide
PubChem CID167237901
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC NameN-[2-(aminomethylsulfanyl)ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCSCN
InChIInChI=1S/C8H18N2OS/c1-8(2,3)7(11)10-4-5-12-6-9/h4-6,9H2,1-3H3,(H,10,11)
InChIKeyXDAUQHKNSFYBHB-UHFFFAOYSA-N
XLogP0.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-2,2-dimethylpropanamide;hydrochloride
CID 47002886
N-(aminomethyl)-2,2-dimethylpropanamide
CID 134421146
N-(2-hydroxyethyl)-2,2-dimethylpropanamide
CID 15074197
N-[3-(2-aminoethylamino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 119382533
N-[2-[[3-(tert-butylamino)-3-oxopropyl]disulfanyl]ethyl]-2,2-dimethylpropanamide
CID 88559042
2,2-dimethyl-N-[2-[[N'-methyl-N-(2-methylsulfanylethyl)carbamimidoyl]amino]ethyl]propanamide
CID 111346329
2,2-dimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide
CID 108537712
2,2,2-trichloro-N-[2-[2-[(2,2,2-trichloroacetyl)amino]ethylsulfanyl]ethyl]acetamide
CID 23579838
2-(aminomethyl)-2-methyl-N-(2-prop-2-ynylsulfanylethyl)butanamide
CID 106427791
2,2-dimethyl-3-(2-methylsulfanylethylamino)-3-oxopropanoic acid
CID 82820736
ethane;N-(3-hydroxypropyl)-2,2-dimethylpropanamide
CID 144592534
3-amino-2,2,3-trimethyl-N-(2-methylsulfanylethyl)butanamide
CID 65267164

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethylsulfanyl)ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(aminomethylsulfanyl)ethyl]-2,2-dimethylpropanamide (CID 167237901) is N-[2-(aminomethylsulfanyl)ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(aminomethylsulfanyl)ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(aminomethylsulfanyl)ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCSCN.
What is the InChIKey of N-[2-(aminomethylsulfanyl)ethyl]-2,2-dimethylpropanamide?
The InChIKey is XDAUQHKNSFYBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS/c1-8(2,3)7(11)10-4-5-12-6-9/h4-6,9H2,1-3H3,(H,10,11).
What are the key properties of N-[2-(aminomethylsulfanyl)ethyl]-2,2-dimethylpropanamide?
N-[2-(aminomethylsulfanyl)ethyl]-2,2-dimethylpropanamide has a molecular weight of 190.31 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethylsulfanyl)ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 167237901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).