2-(oxan-4-ylsulfanyl)pentan-3-amine

C10H21NOS — CID 64625775

IUPAC2-(oxan-4-ylsulfanyl)pentan-3-amine
SMILESCCC(N)C(C)SC1CCOCC1
InChIInChI=1S/C10H21NOS/c1-3-10(11)8(2)13-9-4-6-12-7-5-9/h8-10H,3-7,11H2,1-2H3
InChIKeyHSLDLWVESUKJQX-UHFFFAOYSA-N
MW203.35 g/mol
LogP2.02
Rot. Bonds4

About 2-(oxan-4-ylsulfanyl)pentan-3-amine

2-(oxan-4-ylsulfanyl)pentan-3-amine (PubChem CID 64625775) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 2-(oxan-4-ylsulfanyl)pentan-3-amine.

Molecular Properties

Compound Name2-(oxan-4-ylsulfanyl)pentan-3-amine
PubChem CID64625775
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name2-(oxan-4-ylsulfanyl)pentan-3-amine
SMILESCCC(N)C(C)SC1CCOCC1
InChIInChI=1S/C10H21NOS/c1-3-10(11)8(2)13-9-4-6-12-7-5-9/h8-10H,3-7,11H2,1-2H3
InChIKeyHSLDLWVESUKJQX-UHFFFAOYSA-N
XLogP2.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-Trifluoro-2-(oxan-4-ylsulfanyl)pentan-3-amine
CID 62996255
4,4,4-Trifluoro-3-(oxan-4-ylsulfanyl)butan-2-amine
CID 62996256
CID 59787779
CID 59787779
N-ethyl-3-methylsulfanyloxan-4-amine
CID 64626479
2,2-Dipentyl-1,3-oxathian-5-amine
CID 71171100
4-Methylsulfanyl-1-pentoxypentan-3-amine
CID 87782162
3-(5-Methyloxan-2-yl)sulfanylpropan-1-amine
CID 89017016
4-Methylsulfanyloxan-3-amine
CID 123901850
Ethane;oxolane;thian-4-amine
CID 143062795
(3S)-1-ethylsulfanyl-6-methoxyhexan-3-amine
CID 163725635
2-Methylpropan-1-amine;2-(oxan-2-ylsulfanyl)oxane
CID 177738593
2-(Oxan-2-ylmethylsulfanyl)ethanamine
CID 43249686

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylsulfanyl)pentan-3-amine?
The IUPAC name of 2-(oxan-4-ylsulfanyl)pentan-3-amine (CID 64625775) is 2-(oxan-4-ylsulfanyl)pentan-3-amine.
What is the SMILES notation for 2-(oxan-4-ylsulfanyl)pentan-3-amine?
The canonical SMILES for 2-(oxan-4-ylsulfanyl)pentan-3-amine is CCC(N)C(C)SC1CCOCC1.
What is the InChIKey of 2-(oxan-4-ylsulfanyl)pentan-3-amine?
The InChIKey is HSLDLWVESUKJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-3-10(11)8(2)13-9-4-6-12-7-5-9/h8-10H,3-7,11H2,1-2H3.
What are the key properties of 2-(oxan-4-ylsulfanyl)pentan-3-amine?
2-(oxan-4-ylsulfanyl)pentan-3-amine has a molecular weight of 203.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylsulfanyl)pentan-3-amine is sourced from PubChem (CID 64625775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).