trans-(1R,2S)-1-(aminomethyl)-2-ethylsulfanylcyclobutan-1-ol

C7H15NOS — CID 95757363

IUPACtrans-(1R,2S)-1-(aminomethyl)-2-ethylsulfanylcyclobutan-1-ol
SMILESCCS[C@H]1CC[C@@]1(O)CN
InChIInChI=1S/C7H15NOS/c1-2-10-6-3-4-7(6,9)5-8/h6,9H,2-5,8H2,1H3/t6-,7+/m0/s1
InChIKeyAMCOFKGKJNYZIJ-NKWVEPMBSA-N
MW161.27 g/mol
LogP0.59
Rot. Bonds3

About trans-(1R,2S)-1-(aminomethyl)-2-ethylsulfanylcyclobutan-1-ol

trans-(1R,2S)-1-(aminomethyl)-2-ethylsulfanylcyclobutan-1-ol (PubChem CID 95757363) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is trans-(1R,2S)-1-(aminomethyl)-2-ethylsulfanylcyclobutan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-1-(aminomethyl)-2-ethylsulfanylcyclobutan-1-ol
PubChem CID95757363
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Nametrans-(1R,2S)-1-(aminomethyl)-2-ethylsulfanylcyclobutan-1-ol
SMILESCCS[C@H]1CC[C@@]1(O)CN
InChIInChI=1S/C7H15NOS/c1-2-10-6-3-4-7(6,9)5-8/h6,9H,2-5,8H2,1H3/t6-,7+/m0/s1
InChIKeyAMCOFKGKJNYZIJ-NKWVEPMBSA-N
XLogP0.59
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2S)-1-(aminomethyl)-2-ethylsulfanylcyclobutan-1-ol
CID 95757361
1-[(cyclopentylmethylamino)methyl]-2-ethylsulfanylcyclobutan-1-ol
CID 115904294
1-[(cyclohexylamino)methyl]-2-ethylsulfanylcyclobutan-1-ol
CID 115674057
2-ethylsulfanyl-1-[(2-methylbutylamino)methyl]cyclobutan-1-ol
CID 115887809
(E)-N-[[(1R,2R)-2-ethylsulfanyl-1-hydroxycyclobutyl]methyl]-2-methylpent-2-enamide
CID 95972535
1-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-2-ethylsulfanylcyclobutan-1-ol
CID 133357961
[(1R,3S,6S)-3-ethylsulfanyl-6-hydroxy-2,2,6-trimethylcyclohexyl]methyl acetate
CID 138976454
2-ethylsulfanyl-1-[(2-methylsulfonylanilino)methyl]cyclobutan-1-ol
CID 133358014
cis-(1R,2R)-1-[[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-2-ethylsulfanylcyclobutan-1-ol
CID 97323296
cis-(1R,2S)-1-(aminomethyl)-2-methylcyclohexan-1-ol
CID 93046973
trans-(1R,2S)-2-ethylsulfanyl-1-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 97022387
2-(aminomethyl)-1,2-dimethylcyclopentan-1-ol
CID 130681780

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-1-(aminomethyl)-2-ethylsulfanylcyclobutan-1-ol?
The IUPAC name of trans-(1R,2S)-1-(aminomethyl)-2-ethylsulfanylcyclobutan-1-ol (CID 95757363) is trans-(1R,2S)-1-(aminomethyl)-2-ethylsulfanylcyclobutan-1-ol.
What is the SMILES notation for trans-(1R,2S)-1-(aminomethyl)-2-ethylsulfanylcyclobutan-1-ol?
The canonical SMILES for trans-(1R,2S)-1-(aminomethyl)-2-ethylsulfanylcyclobutan-1-ol is CCS[C@H]1CC[C@@]1(O)CN.
What is the InChIKey of trans-(1R,2S)-1-(aminomethyl)-2-ethylsulfanylcyclobutan-1-ol?
The InChIKey is AMCOFKGKJNYZIJ-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H15NOS/c1-2-10-6-3-4-7(6,9)5-8/h6,9H,2-5,8H2,1H3/t6-,7+/m0/s1.
What are the key properties of trans-(1R,2S)-1-(aminomethyl)-2-ethylsulfanylcyclobutan-1-ol?
trans-(1R,2S)-1-(aminomethyl)-2-ethylsulfanylcyclobutan-1-ol has a molecular weight of 161.27 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-1-(aminomethyl)-2-ethylsulfanylcyclobutan-1-ol is sourced from PubChem (CID 95757363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).