2-(3-amino-2-methylpropyl)sulfanyl-N-ethyl-N-methylacetamide

C9H20N2OS — CID 66227723

IUPAC2-(3-amino-2-methylpropyl)sulfanyl-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CSCC(C)CN
InChIInChI=1S/C9H20N2OS/c1-4-11(3)9(12)7-13-6-8(2)5-10/h8H,4-7,10H2,1-3H3
InChIKeyJFVDQWUAVWVCDI-UHFFFAOYSA-N
MW204.34 g/mol
LogP0.79
Rot. Bonds6

About 2-(3-amino-2-methylpropyl)sulfanyl-N-ethyl-N-methylacetamide

2-(3-amino-2-methylpropyl)sulfanyl-N-ethyl-N-methylacetamide (PubChem CID 66227723) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is 2-(3-amino-2-methylpropyl)sulfanyl-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-(3-amino-2-methylpropyl)sulfanyl-N-ethyl-N-methylacetamide
PubChem CID66227723
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC Name2-(3-amino-2-methylpropyl)sulfanyl-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CSCC(C)CN
InChIInChI=1S/C9H20N2OS/c1-4-11(3)9(12)7-13-6-8(2)5-10/h8H,4-7,10H2,1-3H3
InChIKeyJFVDQWUAVWVCDI-UHFFFAOYSA-N
XLogP0.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-amino-2-methylpropyl)sulfanyl-N,N-dimethylacetamide
CID 66227187
(2R)-2-amino-3-[2-[ethyl(methyl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 61141256
2-(3-amino-2-methylpropyl)sulfanyl-N,N-bis(prop-2-enyl)acetamide
CID 66225906
2-(3-amino-2-methylpropyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 66225900
N-ethyl-2-(2-hydroxyethylsulfanyl)-N-methylacetamide
CID 43502624
2-(3-hydroxy-2-methylpropyl)sulfanyl-N,N-dipropylacetamide
CID 66103337
2-(3-amino-2-methylpropyl)sulfanyl-1-(azetidin-1-yl)ethanone
CID 66227467
ethane;N-ethyl-N-methyl-2-methylsulfanylacetamide
CID 142224349
2-[3-(tert-butylamino)-2-methylpropyl]sulfanyl-N,N-diethylacetamide
CID 114234248
N-(2-acetamidoethyl)-2-(3-amino-2-methylpropyl)sulfanylacetamide
CID 66227648
N-ethyl-N-methyl-2-(methyldisulfanyl)acetamide
CID 126990968
N-ethyl-N,3-dimethylbutanamide
CID 18505916

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylpropyl)sulfanyl-N-ethyl-N-methylacetamide?
The IUPAC name of 2-(3-amino-2-methylpropyl)sulfanyl-N-ethyl-N-methylacetamide (CID 66227723) is 2-(3-amino-2-methylpropyl)sulfanyl-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-(3-amino-2-methylpropyl)sulfanyl-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-(3-amino-2-methylpropyl)sulfanyl-N-ethyl-N-methylacetamide is CCN(C)C(=O)CSCC(C)CN.
What is the InChIKey of 2-(3-amino-2-methylpropyl)sulfanyl-N-ethyl-N-methylacetamide?
The InChIKey is JFVDQWUAVWVCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-4-11(3)9(12)7-13-6-8(2)5-10/h8H,4-7,10H2,1-3H3.
What are the key properties of 2-(3-amino-2-methylpropyl)sulfanyl-N-ethyl-N-methylacetamide?
2-(3-amino-2-methylpropyl)sulfanyl-N-ethyl-N-methylacetamide has a molecular weight of 204.34 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylpropyl)sulfanyl-N-ethyl-N-methylacetamide is sourced from PubChem (CID 66227723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).