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

C13H25NOS — CID 115904294

IUPAC1-[(cyclopentylmethylamino)methyl]-2-ethylsulfanylcyclobutan-1-ol
SMILESCCSC1CCC1(O)CNCC1CCCC1
InChIInChI=1S/C13H25NOS/c1-2-16-12-7-8-13(12,15)10-14-9-11-5-3-4-6-11/h11-12,14-15H,2-10H2,1H3
InChIKeyOQKLRVQIQGBNBU-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.41
Rot. Bonds6

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

1-[(cyclopentylmethylamino)methyl]-2-ethylsulfanylcyclobutan-1-ol (PubChem CID 115904294) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is 1-[(cyclopentylmethylamino)methyl]-2-ethylsulfanylcyclobutan-1-ol.

Molecular Properties

Compound Name1-[(cyclopentylmethylamino)methyl]-2-ethylsulfanylcyclobutan-1-ol
PubChem CID115904294
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Name1-[(cyclopentylmethylamino)methyl]-2-ethylsulfanylcyclobutan-1-ol
SMILESCCSC1CCC1(O)CNCC1CCCC1
InChIInChI=1S/C13H25NOS/c1-2-16-12-7-8-13(12,15)10-14-9-11-5-3-4-6-11/h11-12,14-15H,2-10H2,1H3
InChIKeyOQKLRVQIQGBNBU-UHFFFAOYSA-N
XLogP2.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(cyclohexylamino)methyl]-2-ethylsulfanylcyclobutan-1-ol
CID 115674057
2-ethylsulfanyl-1-[(2-methylbutylamino)methyl]cyclobutan-1-ol
CID 115887809
cis-(1S,2S)-1-(aminomethyl)-2-ethylsulfanylcyclobutan-1-ol
CID 95757361
trans-(1R,2S)-1-(aminomethyl)-2-ethylsulfanylcyclobutan-1-ol
CID 95757363
(E)-N-[[(1R,2R)-2-ethylsulfanyl-1-hydroxycyclobutyl]methyl]-2-methylpent-2-enamide
CID 95972535
1-[(cyclohexylmethylamino)methyl]cyclopentan-1-ol
CID 65107001
1-cyclopentyl-N-[(1-methylcyclopentyl)methyl]methanamine
CID 63822365
1-cyclohexyl-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
CID 107266985
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-cyclopentylmethanamine
CID 114757546
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-cyclohexylmethanamine
CID 115455707
N-[[1-(chloromethyl)cyclopentyl]methyl]-1-cyclohexylmethanamine
CID 115363404
cis-(1R,2R)-1-[[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-2-ethylsulfanylcyclobutan-1-ol
CID 97323296

Frequently Asked Questions

What is the IUPAC name of 1-[(cyclopentylmethylamino)methyl]-2-ethylsulfanylcyclobutan-1-ol?
The IUPAC name of 1-[(cyclopentylmethylamino)methyl]-2-ethylsulfanylcyclobutan-1-ol (CID 115904294) is 1-[(cyclopentylmethylamino)methyl]-2-ethylsulfanylcyclobutan-1-ol.
What is the SMILES notation for 1-[(cyclopentylmethylamino)methyl]-2-ethylsulfanylcyclobutan-1-ol?
The canonical SMILES for 1-[(cyclopentylmethylamino)methyl]-2-ethylsulfanylcyclobutan-1-ol is CCSC1CCC1(O)CNCC1CCCC1.
What is the InChIKey of 1-[(cyclopentylmethylamino)methyl]-2-ethylsulfanylcyclobutan-1-ol?
The InChIKey is OQKLRVQIQGBNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c1-2-16-12-7-8-13(12,15)10-14-9-11-5-3-4-6-11/h11-12,14-15H,2-10H2,1H3.
What are the key properties of 1-[(cyclopentylmethylamino)methyl]-2-ethylsulfanylcyclobutan-1-ol?
1-[(cyclopentylmethylamino)methyl]-2-ethylsulfanylcyclobutan-1-ol has a molecular weight of 243.42 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(cyclopentylmethylamino)methyl]-2-ethylsulfanylcyclobutan-1-ol is sourced from PubChem (CID 115904294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).