3-[(5-chloro-2-pyridinyl)sulfanyl]oxan-4-amine

C10H13ClN2OS — CID 64629845

IUPAC3-[(5-chloro-2-pyridinyl)sulfanyl]oxan-4-amine
SMILESNC1CCOCC1Sc1ccc(Cl)cn1
InChIInChI=1S/C10H13ClN2OS/c11-7-1-2-10(13-5-7)15-9-6-14-4-3-8(9)12/h1-2,5,8-9H,3-4,6,12H2
InChIKeyDLISXRSKWPGMPR-UHFFFAOYSA-N
MW244.75 g/mol
LogP1.94
Rot. Bonds2

About 3-[(5-chloro-2-pyridinyl)sulfanyl]oxan-4-amine

3-[(5-chloro-2-pyridinyl)sulfanyl]oxan-4-amine (PubChem CID 64629845) has the molecular formula C10H13ClN2OS and a molecular weight of 244.75 g/mol. Its IUPAC name is 3-[(5-chloro-2-pyridinyl)sulfanyl]oxan-4-amine.

Molecular Properties

Compound Name3-[(5-chloro-2-pyridinyl)sulfanyl]oxan-4-amine
PubChem CID64629845
Molecular FormulaC10H13ClN2OS
Molecular Weight244.75 g/mol
Exact Mass244.04
IUPAC Name3-[(5-chloro-2-pyridinyl)sulfanyl]oxan-4-amine
SMILESNC1CCOCC1Sc1ccc(Cl)cn1
InChIInChI=1S/C10H13ClN2OS/c11-7-1-2-10(13-5-7)15-9-6-14-4-3-8(9)12/h1-2,5,8-9H,3-4,6,12H2
InChIKeyDLISXRSKWPGMPR-UHFFFAOYSA-N
XLogP1.94
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-pyridinyl)sulfanyl]oxan-4-amine?
The IUPAC name of 3-[(5-chloro-2-pyridinyl)sulfanyl]oxan-4-amine (CID 64629845) is 3-[(5-chloro-2-pyridinyl)sulfanyl]oxan-4-amine.
What is the SMILES notation for 3-[(5-chloro-2-pyridinyl)sulfanyl]oxan-4-amine?
The canonical SMILES for 3-[(5-chloro-2-pyridinyl)sulfanyl]oxan-4-amine is NC1CCOCC1Sc1ccc(Cl)cn1.
What is the InChIKey of 3-[(5-chloro-2-pyridinyl)sulfanyl]oxan-4-amine?
The InChIKey is DLISXRSKWPGMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2OS/c11-7-1-2-10(13-5-7)15-9-6-14-4-3-8(9)12/h1-2,5,8-9H,3-4,6,12H2.
What are the key properties of 3-[(5-chloro-2-pyridinyl)sulfanyl]oxan-4-amine?
3-[(5-chloro-2-pyridinyl)sulfanyl]oxan-4-amine has a molecular weight of 244.75 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-pyridinyl)sulfanyl]oxan-4-amine is sourced from PubChem (CID 64629845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).