2-[2-(oxolan-2-yl)ethylsulfinyl]propan-1-amine

C9H19NO2S — CID 81186546

IUPAC2-[2-(oxolan-2-yl)ethylsulfinyl]propan-1-amine
SMILESCC(CN)S(=O)CCC1CCCO1
InChIInChI=1S/C9H19NO2S/c1-8(7-10)13(11)6-4-9-3-2-5-12-9/h8-9H,2-7,10H2,1H3
InChIKeyHOOHHAXCBVUQTB-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.65
Rot. Bonds5

About 2-[2-(oxolan-2-yl)ethylsulfinyl]propan-1-amine

2-[2-(oxolan-2-yl)ethylsulfinyl]propan-1-amine (PubChem CID 81186546) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 2-[2-(oxolan-2-yl)ethylsulfinyl]propan-1-amine.

Molecular Properties

Compound Name2-[2-(oxolan-2-yl)ethylsulfinyl]propan-1-amine
PubChem CID81186546
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name2-[2-(oxolan-2-yl)ethylsulfinyl]propan-1-amine
SMILESCC(CN)S(=O)CCC1CCCO1
InChIInChI=1S/C9H19NO2S/c1-8(7-10)13(11)6-4-9-3-2-5-12-9/h8-9H,2-7,10H2,1H3
InChIKeyHOOHHAXCBVUQTB-UHFFFAOYSA-N
XLogP0.65
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[2-(oxolan-2-yl)ethylsulfinyl]propan-2-amine
CID 81188308
2-methyl-3-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid
CID 65166400
(2R)-4-[(2R)-oxolan-2-yl]butan-2-amine
CID 7380763
2-methyl-3-[4-[2-(oxolan-2-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine
CID 65158752
2-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 65165961
(2R)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine
CID 104868334
2-(oxolan-2-ylmethylsulfanyl)propan-1-amine
CID 66242081
3-methyl-6-(oxolan-2-yl)hexan-1-amine
CID 81013220
4-[2-(oxolan-2-yl)ethylsulfinyl]aniline
CID 65166256
2-methyl-3-[3-(oxolan-2-yl)propylsulfanyl]propan-1-amine
CID 66224560
4-methylsulfinyl-N-[3-(oxolan-2-yl)propyl]butan-2-amine
CID 104668694
5-amino-4-methyl-N-[2-(oxolan-2-yl)ethyl]pentanamide
CID 82011608

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxolan-2-yl)ethylsulfinyl]propan-1-amine?
The IUPAC name of 2-[2-(oxolan-2-yl)ethylsulfinyl]propan-1-amine (CID 81186546) is 2-[2-(oxolan-2-yl)ethylsulfinyl]propan-1-amine.
What is the SMILES notation for 2-[2-(oxolan-2-yl)ethylsulfinyl]propan-1-amine?
The canonical SMILES for 2-[2-(oxolan-2-yl)ethylsulfinyl]propan-1-amine is CC(CN)S(=O)CCC1CCCO1.
What is the InChIKey of 2-[2-(oxolan-2-yl)ethylsulfinyl]propan-1-amine?
The InChIKey is HOOHHAXCBVUQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-8(7-10)13(11)6-4-9-3-2-5-12-9/h8-9H,2-7,10H2,1H3.
What are the key properties of 2-[2-(oxolan-2-yl)ethylsulfinyl]propan-1-amine?
2-[2-(oxolan-2-yl)ethylsulfinyl]propan-1-amine has a molecular weight of 205.32 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxolan-2-yl)ethylsulfinyl]propan-1-amine is sourced from PubChem (CID 81186546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).