1-[(cyclohexylamino)methyl]-2-ethylsulfanylcyclobutan-1-ol

C13H25NOS — CID 115674057

IUPAC1-[(cyclohexylamino)methyl]-2-ethylsulfanylcyclobutan-1-ol
SMILESCCSC1CCC1(O)CNC1CCCCC1
InChIInChI=1S/C13H25NOS/c1-2-16-12-8-9-13(12,15)10-14-11-6-4-3-5-7-11/h11-12,14-15H,2-10H2,1H3
InChIKeyPLCPHBNSGIMRHY-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.56
Rot. Bonds5

About 1-[(cyclohexylamino)methyl]-2-ethylsulfanylcyclobutan-1-ol

1-[(cyclohexylamino)methyl]-2-ethylsulfanylcyclobutan-1-ol (PubChem CID 115674057) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is 1-[(cyclohexylamino)methyl]-2-ethylsulfanylcyclobutan-1-ol.

Molecular Properties

Compound Name1-[(cyclohexylamino)methyl]-2-ethylsulfanylcyclobutan-1-ol
PubChem CID115674057
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Name1-[(cyclohexylamino)methyl]-2-ethylsulfanylcyclobutan-1-ol
SMILESCCSC1CCC1(O)CNC1CCCCC1
InChIInChI=1S/C13H25NOS/c1-2-16-12-8-9-13(12,15)10-14-11-6-4-3-5-7-11/h11-12,14-15H,2-10H2,1H3
InChIKeyPLCPHBNSGIMRHY-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(cyclopentylmethylamino)methyl]-2-ethylsulfanylcyclobutan-1-ol
CID 115904294
2-ethylsulfanyl-1-[(2-methylbutylamino)methyl]cyclobutan-1-ol
CID 115887809
trans-(1R,2S)-1-(aminomethyl)-2-ethylsulfanylcyclobutan-1-ol
CID 95757363
1-[(cycloheptylamino)methyl]cycloheptan-1-ol
CID 60710664
cis-(1R,2R)-1-[[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-2-ethylsulfanylcyclobutan-1-ol
CID 97323296
(E)-N-[[(1R,2R)-2-ethylsulfanyl-1-hydroxycyclobutyl]methyl]-2-methylpent-2-enamide
CID 95972535
N-[(1-propylcyclopropyl)methyl]cyclohexanamine
CID 115696304
N-[(1-cyclopropylcyclopropyl)methyl]cycloheptanamine
CID 115757794
1-[(cyclobutylamino)methyl]cycloheptan-1-ol
CID 62416530
1-[(cyclopropylamino)methyl]-2-methoxycyclohexan-1-ol
CID 106874406
2-ethylsulfanyl-1-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol
CID 133357835
2-[1-[(cyclohexylamino)methyl]cyclohexyl]ethanol
CID 111974878

Frequently Asked Questions

What is the IUPAC name of 1-[(cyclohexylamino)methyl]-2-ethylsulfanylcyclobutan-1-ol?
The IUPAC name of 1-[(cyclohexylamino)methyl]-2-ethylsulfanylcyclobutan-1-ol (CID 115674057) is 1-[(cyclohexylamino)methyl]-2-ethylsulfanylcyclobutan-1-ol.
What is the SMILES notation for 1-[(cyclohexylamino)methyl]-2-ethylsulfanylcyclobutan-1-ol?
The canonical SMILES for 1-[(cyclohexylamino)methyl]-2-ethylsulfanylcyclobutan-1-ol is CCSC1CCC1(O)CNC1CCCCC1.
What is the InChIKey of 1-[(cyclohexylamino)methyl]-2-ethylsulfanylcyclobutan-1-ol?
The InChIKey is PLCPHBNSGIMRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c1-2-16-12-8-9-13(12,15)10-14-11-6-4-3-5-7-11/h11-12,14-15H,2-10H2,1H3.
What are the key properties of 1-[(cyclohexylamino)methyl]-2-ethylsulfanylcyclobutan-1-ol?
1-[(cyclohexylamino)methyl]-2-ethylsulfanylcyclobutan-1-ol has a molecular weight of 243.42 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(cyclohexylamino)methyl]-2-ethylsulfanylcyclobutan-1-ol is sourced from PubChem (CID 115674057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).