4-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylbutan-2-amine

C11H17ClN2S — CID 64631084

IUPAC4-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylbutan-2-amine
SMILESCCNC(C)CCSc1ncccc1Cl
InChIInChI=1S/C11H17ClN2S/c1-3-13-9(2)6-8-15-11-10(12)5-4-7-14-11/h4-5,7,9,13H,3,6,8H2,1-2H3
InChIKeyRLDIDHGHLITROF-UHFFFAOYSA-N
MW244.79 g/mol
LogP3.22
Rot. Bonds6

About 4-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylbutan-2-amine

4-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylbutan-2-amine (PubChem CID 64631084) has the molecular formula C11H17ClN2S and a molecular weight of 244.79 g/mol. Its IUPAC name is 4-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylbutan-2-amine.

Molecular Properties

Compound Name4-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylbutan-2-amine
PubChem CID64631084
Molecular FormulaC11H17ClN2S
Molecular Weight244.79 g/mol
Exact Mass244.08
IUPAC Name4-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylbutan-2-amine
SMILESCCNC(C)CCSc1ncccc1Cl
InChIInChI=1S/C11H17ClN2S/c1-3-13-9(2)6-8-15-11-10(12)5-4-7-14-11/h4-5,7,9,13H,3,6,8H2,1-2H3
InChIKeyRLDIDHGHLITROF-UHFFFAOYSA-N
XLogP3.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.79
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylpentan-2-amine
CID 64630670
3-chloro-2-(2-chloroethylsulfanyl)pyridine
CID 43446290
2-amino-4-[(3-chloro-2-pyridinyl)sulfanyl]butan-1-ol
CID 64821551
4-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylbutan-2-amine
CID 64631271
5-[(3-chloro-2-pyridinyl)sulfanyl]-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106807586
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-methylpentan-3-amine
CID 64630677
5-[(3-chloro-2-pyridinyl)sulfanyl]-2-ethyl-2-(methylamino)pentan-1-ol
CID 106811132
4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)butan-1-ol
CID 64819084
1-amino-4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methylbutan-2-ol
CID 64813224
N-[2-[(3-chloro-2-pyridinyl)sulfanyl]-1-cyclopropylethyl]propan-1-amine
CID 64629049
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methylpropyl)acetamide
CID 47138570
N-[(2-chloro-3-pyridinyl)methyl]-4-methylsulfanylbutan-2-amine
CID 115639950

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylbutan-2-amine?
The IUPAC name of 4-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylbutan-2-amine (CID 64631084) is 4-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylbutan-2-amine.
What is the SMILES notation for 4-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylbutan-2-amine?
The canonical SMILES for 4-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylbutan-2-amine is CCNC(C)CCSc1ncccc1Cl.
What is the InChIKey of 4-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylbutan-2-amine?
The InChIKey is RLDIDHGHLITROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2S/c1-3-13-9(2)6-8-15-11-10(12)5-4-7-14-11/h4-5,7,9,13H,3,6,8H2,1-2H3.
What are the key properties of 4-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylbutan-2-amine?
4-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylbutan-2-amine has a molecular weight of 244.79 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylbutan-2-amine is sourced from PubChem (CID 64631084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).