N-(2,2-dimethoxyethyl)-1-ethylsulfanylpropan-2-amine

C9H21NO2S — CID 112704508

IUPACN-(2,2-dimethoxyethyl)-1-ethylsulfanylpropan-2-amine
SMILESCCSCC(C)NCC(OC)OC
InChIInChI=1S/C9H21NO2S/c1-5-13-7-8(2)10-6-9(11-3)12-4/h8-10H,5-7H2,1-4H3
InChIKeyXQFZSJBVLBSRKN-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.34
Rot. Bonds8

About N-(2,2-dimethoxyethyl)-1-ethylsulfanylpropan-2-amine

N-(2,2-dimethoxyethyl)-1-ethylsulfanylpropan-2-amine (PubChem CID 112704508) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-1-ethylsulfanylpropan-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-1-ethylsulfanylpropan-2-amine
PubChem CID112704508
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC NameN-(2,2-dimethoxyethyl)-1-ethylsulfanylpropan-2-amine
SMILESCCSCC(C)NCC(OC)OC
InChIInChI=1S/C9H21NO2S/c1-5-13-7-8(2)10-6-9(11-3)12-4/h8-10H,5-7H2,1-4H3
InChIKeyXQFZSJBVLBSRKN-UHFFFAOYSA-N
XLogP1.34
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1-dimethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine
CID 106427278
N-(2,2-dimethoxyethyl)-3-(methylsulfanyl)propan-1-amine
CID 60668848
4-(Dimethoxymethyl)-1,3-thiazolidine
CID 19430508
4-(Dimethoxymethyl)-2,2-dimethyl-1,3-thiazolidine
CID 59229130
(2R)-N-(2,2-dimethoxyethyl)-1-ethylsulfanylpropan-2-amine
CID 88958933
(4S)-4-[di(propan-2-yloxy)methyl]-2,2-dimethyl-1,3-thiazolidine
CID 117871263
4-[Di(propan-2-yloxy)methyl]-2,2-dimethyl-1,3-thiazolidine
CID 117871265
4-(Dimethoxymethyl)-2-methyl-1,3-thiazolidin-3-ium
CID 143944755
N-(2,2-dimethoxyethyl)thiolan-3-amine
CID 60663265
N-(2,2-dimethoxyethyl)thian-4-amine
CID 60663361
2,2-dimethoxy-N-(2-methylsulfanylethyl)ethanamine
CID 60686974
N-(2,2-dimethoxyethyl)-1-oxothian-4-amine
CID 61564059

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-1-ethylsulfanylpropan-2-amine?
The IUPAC name of N-(2,2-dimethoxyethyl)-1-ethylsulfanylpropan-2-amine (CID 112704508) is N-(2,2-dimethoxyethyl)-1-ethylsulfanylpropan-2-amine.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-1-ethylsulfanylpropan-2-amine?
The canonical SMILES for N-(2,2-dimethoxyethyl)-1-ethylsulfanylpropan-2-amine is CCSCC(C)NCC(OC)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-1-ethylsulfanylpropan-2-amine?
The InChIKey is XQFZSJBVLBSRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-5-13-7-8(2)10-6-9(11-3)12-4/h8-10H,5-7H2,1-4H3.
What are the key properties of N-(2,2-dimethoxyethyl)-1-ethylsulfanylpropan-2-amine?
N-(2,2-dimethoxyethyl)-1-ethylsulfanylpropan-2-amine has a molecular weight of 207.34 g/mol, XLogP of 1.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-1-ethylsulfanylpropan-2-amine is sourced from PubChem (CID 112704508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).