(4-cyclobutylpiperidin-1-yl)-imino-methyl-oxo-λ6-sulfane

C10H20N2OS — CID 164651451

IUPAC(4-cyclobutylpiperidin-1-yl)-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)N1CCC(C2CCC2)CC1
InChIInChI=1S/C10H20N2OS/c1-14(11,13)12-7-5-10(6-8-12)9-3-2-4-9/h9-11H,2-8H2,1H3
InChIKeyMKPOAQCTSZFSAV-UHFFFAOYSA-N
MW216.35 g/mol
LogP2.09
Rot. Bonds2

About (4-cyclobutylpiperidin-1-yl)-imino-methyl-oxo-λ6-sulfane

(4-cyclobutylpiperidin-1-yl)-imino-methyl-oxo-λ6-sulfane (PubChem CID 164651451) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is (4-cyclobutylpiperidin-1-yl)-imino-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name(4-cyclobutylpiperidin-1-yl)-imino-methyl-oxo-λ6-sulfane
PubChem CID164651451
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name(4-cyclobutylpiperidin-1-yl)-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)N1CCC(C2CCC2)CC1
InChIInChI=1S/C10H20N2OS/c1-14(11,13)12-7-5-10(6-8-12)9-3-2-4-9/h9-11H,2-8H2,1H3
InChIKeyMKPOAQCTSZFSAV-UHFFFAOYSA-N
XLogP2.09
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-imino-methyl-oxo-λ6-sulfane;hydrochloride
CID 172880436
1-methylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole
CID 130741756
1-(methylsulfonimidoyl)piperidin-4-one;hydrochloride
CID 172898076
cyclobutyl-imino-methyl-oxo-λ6-sulfane
CID 167262038
tricyclo[11.3.0.05,9]hexadecane
CID 154595560
N-(2-methylcyclopentyl)-1-methylsulfonylpiperidin-4-amine
CID 65044453
1,2,3,3a,4,5,6,6a-octahydropentalene;cyclopentane;ethane
CID 161297906
1-(methyl-methylidene-oxo-λ6-sulfanyl)-N-propan-2-ylpiperidin-4-amine
CID 88915710
N-(3-methylcyclohexyl)-1-methylsulfonylpiperidin-4-amine
CID 43432065
1-methylsulfonylpiperidine-4-thiol
CID 130490648
1,2,3,3a,4,5,6,6a-octahydropentalene;phosphane
CID 174450452
(1R,5R)-bicyclo[3.2.0]heptane
CID 123536914

Frequently Asked Questions

What is the IUPAC name of (4-cyclobutylpiperidin-1-yl)-imino-methyl-oxo-λ6-sulfane?
The IUPAC name of (4-cyclobutylpiperidin-1-yl)-imino-methyl-oxo-λ6-sulfane (CID 164651451) is (4-cyclobutylpiperidin-1-yl)-imino-methyl-oxo-λ6-sulfane.
What is the SMILES notation for (4-cyclobutylpiperidin-1-yl)-imino-methyl-oxo-λ6-sulfane?
The canonical SMILES for (4-cyclobutylpiperidin-1-yl)-imino-methyl-oxo-λ6-sulfane is [H]N=S(C)(=O)N1CCC(C2CCC2)CC1.
What is the InChIKey of (4-cyclobutylpiperidin-1-yl)-imino-methyl-oxo-λ6-sulfane?
The InChIKey is MKPOAQCTSZFSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-14(11,13)12-7-5-10(6-8-12)9-3-2-4-9/h9-11H,2-8H2,1H3.
What are the key properties of (4-cyclobutylpiperidin-1-yl)-imino-methyl-oxo-λ6-sulfane?
(4-cyclobutylpiperidin-1-yl)-imino-methyl-oxo-λ6-sulfane has a molecular weight of 216.35 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutylpiperidin-1-yl)-imino-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 164651451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).