[1-(2-cyclopropylsulfanylethyl)piperidin-2-yl]methanamine

C11H22N2S — CID 84680522

IUPAC[1-(2-cyclopropylsulfanylethyl)piperidin-2-yl]methanamine
SMILESNCC1CCCCN1CCSC1CC1
InChIInChI=1S/C11H22N2S/c12-9-10-3-1-2-6-13(10)7-8-14-11-4-5-11/h10-11H,1-9,12H2
InChIKeyPWQJOBZANXEYSB-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.70
Rot. Bonds5

About [1-(2-cyclopropylsulfanylethyl)piperidin-2-yl]methanamine

[1-(2-cyclopropylsulfanylethyl)piperidin-2-yl]methanamine (PubChem CID 84680522) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is [1-(2-cyclopropylsulfanylethyl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(2-cyclopropylsulfanylethyl)piperidin-2-yl]methanamine
PubChem CID84680522
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name[1-(2-cyclopropylsulfanylethyl)piperidin-2-yl]methanamine
SMILESNCC1CCCCN1CCSC1CC1
InChIInChI=1S/C11H22N2S/c12-9-10-3-1-2-6-13(10)7-8-14-11-4-5-11/h10-11H,1-9,12H2
InChIKeyPWQJOBZANXEYSB-UHFFFAOYSA-N
XLogP1.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-ethylsulfanylethyl)pyrrolidin-2-yl]methanamine
CID 112702102
[1-(2-cyclopropylethyl)azepan-2-yl]methanamine
CID 116640428
[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methanamine
CID 61493948
[(2S)-1-(2-cyclohexylethyl)piperidin-2-yl]methanamine
CID 97052114
(1-butylazepan-2-yl)methanamine
CID 116640391
[1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine
CID 64566095
[1-(2-benzylsulfanylethyl)piperidin-2-yl]methanamine;hydrochloride
CID 120836929
(1-dodecylpiperidin-2-yl)methanamine
CID 63405140
4-[2-(aminomethyl)azepan-1-yl]butan-1-ol
CID 116640497
[1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine;hydrochloride
CID 119916056
[1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanamine
CID 81493135
(1-dodecylazepan-2-yl)methanamine
CID 116640397

Frequently Asked Questions

What is the IUPAC name of [1-(2-cyclopropylsulfanylethyl)piperidin-2-yl]methanamine?
The IUPAC name of [1-(2-cyclopropylsulfanylethyl)piperidin-2-yl]methanamine (CID 84680522) is [1-(2-cyclopropylsulfanylethyl)piperidin-2-yl]methanamine.
What is the SMILES notation for [1-(2-cyclopropylsulfanylethyl)piperidin-2-yl]methanamine?
The canonical SMILES for [1-(2-cyclopropylsulfanylethyl)piperidin-2-yl]methanamine is NCC1CCCCN1CCSC1CC1.
What is the InChIKey of [1-(2-cyclopropylsulfanylethyl)piperidin-2-yl]methanamine?
The InChIKey is PWQJOBZANXEYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c12-9-10-3-1-2-6-13(10)7-8-14-11-4-5-11/h10-11H,1-9,12H2.
What are the key properties of [1-(2-cyclopropylsulfanylethyl)piperidin-2-yl]methanamine?
[1-(2-cyclopropylsulfanylethyl)piperidin-2-yl]methanamine has a molecular weight of 214.38 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-cyclopropylsulfanylethyl)piperidin-2-yl]methanamine is sourced from PubChem (CID 84680522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).