2-(oxolan-2-ylmethylsulfanyl)propan-1-amine

C8H17NOS — CID 66242081

IUPAC2-(oxolan-2-ylmethylsulfanyl)propan-1-amine
SMILESCC(CN)SCC1CCCO1
InChIInChI=1S/C8H17NOS/c1-7(5-9)11-6-8-3-2-4-10-8/h7-8H,2-6,9H2,1H3
InChIKeyIVBYVMUEAYCYRC-UHFFFAOYSA-N
MW175.30 g/mol
LogP1.25
Rot. Bonds4

About 2-(oxolan-2-ylmethylsulfanyl)propan-1-amine

2-(oxolan-2-ylmethylsulfanyl)propan-1-amine (PubChem CID 66242081) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylsulfanyl)propan-1-amine.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylsulfanyl)propan-1-amine
PubChem CID66242081
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name2-(oxolan-2-ylmethylsulfanyl)propan-1-amine
SMILESCC(CN)SCC1CCCO1
InChIInChI=1S/C8H17NOS/c1-7(5-9)11-6-8-3-2-4-10-8/h7-8H,2-6,9H2,1H3
InChIKeyIVBYVMUEAYCYRC-UHFFFAOYSA-N
XLogP1.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-4-(oxolan-2-ylmethylsulfanyl)pentanenitrile
CID 106495473
N-[2-(oxolan-2-ylmethylsulfanyl)propyl]cyclopentanamine
CID 106495862
methyl 2-amino-2-methyl-4-(oxolan-2-ylmethylsulfanyl)pentanoate
CID 106495684
2-methyl-2-(methylamino)-4-(oxolan-2-ylmethylsulfanyl)pentanoic acid
CID 106495532
(2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane
CID 129402242
2-[(hexan-2-yldisulfanyl)methyl]oxolane
CID 167097329
N-[2-(oxolan-2-ylmethylsulfanyl)propyl]aniline
CID 106495831
2-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-amine
CID 66218624
3-[3-(oxolan-2-yl)propylsulfanyl]butan-1-amine
CID 66228404
2-[4-[5-(oxolan-2-yl)pentan-2-ylsulfanyl]pentyl]oxolane
CID 54448834
(2R)-1-(oxolan-2-yl)propan-2-amine
CID 104932128
[(2R)-oxolan-2-yl]methanamine
CID 2734124

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylsulfanyl)propan-1-amine?
The IUPAC name of 2-(oxolan-2-ylmethylsulfanyl)propan-1-amine (CID 66242081) is 2-(oxolan-2-ylmethylsulfanyl)propan-1-amine.
What is the SMILES notation for 2-(oxolan-2-ylmethylsulfanyl)propan-1-amine?
The canonical SMILES for 2-(oxolan-2-ylmethylsulfanyl)propan-1-amine is CC(CN)SCC1CCCO1.
What is the InChIKey of 2-(oxolan-2-ylmethylsulfanyl)propan-1-amine?
The InChIKey is IVBYVMUEAYCYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-7(5-9)11-6-8-3-2-4-10-8/h7-8H,2-6,9H2,1H3.
What are the key properties of 2-(oxolan-2-ylmethylsulfanyl)propan-1-amine?
2-(oxolan-2-ylmethylsulfanyl)propan-1-amine has a molecular weight of 175.30 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylsulfanyl)propan-1-amine is sourced from PubChem (CID 66242081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).