N-propyl-1-pyridin-2-ylsulfanylpropan-2-amine

C11H18N2S — CID 64647935

IUPACN-propyl-1-pyridin-2-ylsulfanylpropan-2-amine
SMILESCCCNC(C)CSc1ccccn1
InChIInChI=1S/C11H18N2S/c1-3-7-12-10(2)9-14-11-6-4-5-8-13-11/h4-6,8,10,12H,3,7,9H2,1-2H3
InChIKeyURMMNCRNONIKDY-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.56
Rot. Bonds6

About N-propyl-1-pyridin-2-ylsulfanylpropan-2-amine

N-propyl-1-pyridin-2-ylsulfanylpropan-2-amine (PubChem CID 64647935) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is N-propyl-1-pyridin-2-ylsulfanylpropan-2-amine.

Molecular Properties

Compound NameN-propyl-1-pyridin-2-ylsulfanylpropan-2-amine
PubChem CID64647935
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC NameN-propyl-1-pyridin-2-ylsulfanylpropan-2-amine
SMILESCCCNC(C)CSc1ccccn1
InChIInChI=1S/C11H18N2S/c1-3-7-12-10(2)9-14-11-6-4-5-8-13-11/h4-6,8,10,12H,3,7,9H2,1-2H3
InChIKeyURMMNCRNONIKDY-UHFFFAOYSA-N
XLogP2.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-6-pyridin-2-ylsulfanylhexan-2-amine
CID 64649505
N-(2-pyridin-2-ylsulfanylethyl)pentan-2-amine
CID 62578356
ethyl 3-methyl-5-(1-pyridin-2-ylsulfanylpropan-2-ylamino)pentanoate
CID 123744709
2-(propylamino)-4-pyridin-2-ylsulfanylbutan-1-ol
CID 64807026
N-[1-(2-pyridin-2-ylsulfanylphenyl)ethyl]propan-1-amine
CID 43286336
N-[1-(2,4-dimethylphenyl)-2-pyridin-2-ylsulfanylethyl]propan-1-amine
CID 64647741
ethane;2-(2-methylbutylsulfanyl)pyridine
CID 90957639
1-(propan-2-ylamino)-3-pyridin-2-ylsulfanylpropan-2-ol
CID 43166370
1-(1H-imidazol-2-ylsulfanyl)-N-propylpropan-2-amine
CID 107783836
1-naphthalen-2-ylsulfanyl-N-propylpropan-2-amine
CID 64648859
N-ethyl-2-pyridin-2-ylsulfanylethanamine
CID 53211548
N-propyl-5-(pyridin-2-ylsulfanylmethyl)pyrazin-2-amine
CID 103059738

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-pyridin-2-ylsulfanylpropan-2-amine?
The IUPAC name of N-propyl-1-pyridin-2-ylsulfanylpropan-2-amine (CID 64647935) is N-propyl-1-pyridin-2-ylsulfanylpropan-2-amine.
What is the SMILES notation for N-propyl-1-pyridin-2-ylsulfanylpropan-2-amine?
The canonical SMILES for N-propyl-1-pyridin-2-ylsulfanylpropan-2-amine is CCCNC(C)CSc1ccccn1.
What is the InChIKey of N-propyl-1-pyridin-2-ylsulfanylpropan-2-amine?
The InChIKey is URMMNCRNONIKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-3-7-12-10(2)9-14-11-6-4-5-8-13-11/h4-6,8,10,12H,3,7,9H2,1-2H3.
What are the key properties of N-propyl-1-pyridin-2-ylsulfanylpropan-2-amine?
N-propyl-1-pyridin-2-ylsulfanylpropan-2-amine has a molecular weight of 210.35 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-pyridin-2-ylsulfanylpropan-2-amine is sourced from PubChem (CID 64647935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).