2-ethylsulfanyl-1-[(2-methylbutylamino)methyl]cyclobutan-1-ol

C12H25NOS — CID 115887809

IUPAC2-ethylsulfanyl-1-[(2-methylbutylamino)methyl]cyclobutan-1-ol
SMILESCCSC1CCC1(O)CNCC(C)CC
InChIInChI=1S/C12H25NOS/c1-4-10(3)8-13-9-12(14)7-6-11(12)15-5-2/h10-11,13-14H,4-9H2,1-3H3
InChIKeyJKVSIFDVRGBZBZ-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.27
Rot. Bonds7

About 2-ethylsulfanyl-1-[(2-methylbutylamino)methyl]cyclobutan-1-ol

2-ethylsulfanyl-1-[(2-methylbutylamino)methyl]cyclobutan-1-ol (PubChem CID 115887809) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is 2-ethylsulfanyl-1-[(2-methylbutylamino)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name2-ethylsulfanyl-1-[(2-methylbutylamino)methyl]cyclobutan-1-ol
PubChem CID115887809
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name2-ethylsulfanyl-1-[(2-methylbutylamino)methyl]cyclobutan-1-ol
SMILESCCSC1CCC1(O)CNCC(C)CC
InChIInChI=1S/C12H25NOS/c1-4-10(3)8-13-9-12(14)7-6-11(12)15-5-2/h10-11,13-14H,4-9H2,1-3H3
InChIKeyJKVSIFDVRGBZBZ-UHFFFAOYSA-N
XLogP2.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(cyclopentylmethylamino)methyl]-2-ethylsulfanylcyclobutan-1-ol
CID 115904294
4-ethyl-1-[(2-methylbutylamino)methyl]cyclohexan-1-ol
CID 65115854
1-[(cyclohexylamino)methyl]-2-ethylsulfanylcyclobutan-1-ol
CID 115674057
trans-(1R,2S)-1-(aminomethyl)-2-ethylsulfanylcyclobutan-1-ol
CID 95757363
cis-(1S,2S)-1-(aminomethyl)-2-ethylsulfanylcyclobutan-1-ol
CID 95757361
1-[(2-methylbutylamino)methyl]cyclohexan-1-ol
CID 62692015
2-methyl-N-[(1-methylcyclopropyl)methyl]butan-1-amine
CID 103897149
(E)-N-[[(1R,2R)-2-ethylsulfanyl-1-hydroxycyclobutyl]methyl]-2-methylpent-2-enamide
CID 95972535
1-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-ethylsulfanylcyclobutan-1-ol
CID 133461626
N-(cyclopentylmethyl)-2-methylbutan-1-amine
CID 43370775
cis-(1R,2R)-1-[[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-2-ethylsulfanylcyclobutan-1-ol
CID 97323296
N'-hydroxy-2-[1-[(2-methylbutylamino)methyl]cyclopropyl]ethanimidamide
CID 77071012

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1-[(2-methylbutylamino)methyl]cyclobutan-1-ol?
The IUPAC name of 2-ethylsulfanyl-1-[(2-methylbutylamino)methyl]cyclobutan-1-ol (CID 115887809) is 2-ethylsulfanyl-1-[(2-methylbutylamino)methyl]cyclobutan-1-ol.
What is the SMILES notation for 2-ethylsulfanyl-1-[(2-methylbutylamino)methyl]cyclobutan-1-ol?
The canonical SMILES for 2-ethylsulfanyl-1-[(2-methylbutylamino)methyl]cyclobutan-1-ol is CCSC1CCC1(O)CNCC(C)CC.
What is the InChIKey of 2-ethylsulfanyl-1-[(2-methylbutylamino)methyl]cyclobutan-1-ol?
The InChIKey is JKVSIFDVRGBZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-4-10(3)8-13-9-12(14)7-6-11(12)15-5-2/h10-11,13-14H,4-9H2,1-3H3.
What are the key properties of 2-ethylsulfanyl-1-[(2-methylbutylamino)methyl]cyclobutan-1-ol?
2-ethylsulfanyl-1-[(2-methylbutylamino)methyl]cyclobutan-1-ol has a molecular weight of 231.40 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1-[(2-methylbutylamino)methyl]cyclobutan-1-ol is sourced from PubChem (CID 115887809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).