imino-methyl-[1-(3-methylbutyl)piperidin-4-yl]-oxo-λ6-sulfane

C11H24N2OS — CID 167284354

IUPACimino-methyl-[1-(3-methylbutyl)piperidin-4-yl]-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)C1CCN(CCC(C)C)CC1
InChIInChI=1S/C11H24N2OS/c1-10(2)4-7-13-8-5-11(6-9-13)15(3,12)14/h10-12H,4-9H2,1-3H3
InChIKeyXCPSIIFHFCJIOG-UHFFFAOYSA-N
MW232.39 g/mol
LogP2.17
Rot. Bonds4

About imino-methyl-[1-(3-methylbutyl)piperidin-4-yl]-oxo-λ6-sulfane

imino-methyl-[1-(3-methylbutyl)piperidin-4-yl]-oxo-λ6-sulfane (PubChem CID 167284354) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is imino-methyl-[1-(3-methylbutyl)piperidin-4-yl]-oxo-λ6-sulfane.

Molecular Properties

Compound Nameimino-methyl-[1-(3-methylbutyl)piperidin-4-yl]-oxo-λ6-sulfane
PubChem CID167284354
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Nameimino-methyl-[1-(3-methylbutyl)piperidin-4-yl]-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)C1CCN(CCC(C)C)CC1
InChIInChI=1S/C11H24N2OS/c1-10(2)4-7-13-8-5-11(6-9-13)15(3,12)14/h10-12H,4-9H2,1-3H3
InChIKeyXCPSIIFHFCJIOG-UHFFFAOYSA-N
XLogP2.17
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

imino-methyl-[1-(3-methylbutyl)azetidin-3-yl]-oxo-λ6-sulfane
CID 166562090
formaldehyde;4-methyl-1-(3-methylbutyl)piperidine
CID 143870022
3-fluoro-1-(3-methylbutyl)pyrrolidine
CID 67990286
1-(3-methylbutyl)-4-propan-2-ylsulfanylpiperidine
CID 167480358
1-(3-methylbutyl)-N-propan-2-ylpiperidin-4-amine
CID 164928841
ethane;4-methoxy-1-(3-methylbutyl)piperidine
CID 155574416
1-[2-[1-(3-methylbutyl)piperidin-4-yl]ethyl]-4-(2-methylpropyl)piperazine
CID 167538514
3-bromo-1-(3-methylbutyl)pyrrolidine
CID 80676511
3-iodo-1-(3-methylbutyl)pyrrolidine
CID 126716401
N,N-dimethyl-1-(3-methylbutyl)piperidine-4-carboxamide
CID 175620267
N-ethyl-N-methyl-1-(3-methylbutyl)piperidin-4-amine
CID 155404879
methane;1-(3-methylbutyl)pyrrolidine
CID 143832561

Frequently Asked Questions

What is the IUPAC name of imino-methyl-[1-(3-methylbutyl)piperidin-4-yl]-oxo-λ6-sulfane?
The IUPAC name of imino-methyl-[1-(3-methylbutyl)piperidin-4-yl]-oxo-λ6-sulfane (CID 167284354) is imino-methyl-[1-(3-methylbutyl)piperidin-4-yl]-oxo-λ6-sulfane.
What is the SMILES notation for imino-methyl-[1-(3-methylbutyl)piperidin-4-yl]-oxo-λ6-sulfane?
The canonical SMILES for imino-methyl-[1-(3-methylbutyl)piperidin-4-yl]-oxo-λ6-sulfane is [H]N=S(C)(=O)C1CCN(CCC(C)C)CC1.
What is the InChIKey of imino-methyl-[1-(3-methylbutyl)piperidin-4-yl]-oxo-λ6-sulfane?
The InChIKey is XCPSIIFHFCJIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-10(2)4-7-13-8-5-11(6-9-13)15(3,12)14/h10-12H,4-9H2,1-3H3.
What are the key properties of imino-methyl-[1-(3-methylbutyl)piperidin-4-yl]-oxo-λ6-sulfane?
imino-methyl-[1-(3-methylbutyl)piperidin-4-yl]-oxo-λ6-sulfane has a molecular weight of 232.39 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imino-methyl-[1-(3-methylbutyl)piperidin-4-yl]-oxo-λ6-sulfane is sourced from PubChem (CID 167284354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).