1-[(thiolan-3-ylmethylamino)methyl]cycloheptan-1-ol

C13H25NOS — CID 107132168

IUPAC1-[(thiolan-3-ylmethylamino)methyl]cycloheptan-1-ol
SMILESOC1(CNCC2CCSC2)CCCCCC1
InChIInChI=1S/C13H25NOS/c15-13(6-3-1-2-4-7-13)11-14-9-12-5-8-16-10-12/h12,14-15H,1-11H2
InChIKeyVTZAENVARUULDE-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.41
Rot. Bonds4

About 1-[(thiolan-3-ylmethylamino)methyl]cycloheptan-1-ol

1-[(thiolan-3-ylmethylamino)methyl]cycloheptan-1-ol (PubChem CID 107132168) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is 1-[(thiolan-3-ylmethylamino)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[(thiolan-3-ylmethylamino)methyl]cycloheptan-1-ol
PubChem CID107132168
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Name1-[(thiolan-3-ylmethylamino)methyl]cycloheptan-1-ol
SMILESOC1(CNCC2CCSC2)CCCCCC1
InChIInChI=1S/C13H25NOS/c15-13(6-3-1-2-4-7-13)11-14-9-12-5-8-16-10-12/h12,14-15H,1-11H2
InChIKeyVTZAENVARUULDE-UHFFFAOYSA-N
XLogP2.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-[(thiolan-3-ylmethylamino)methyl]cyclobutan-1-ol
CID 107132476
1-[(cyclohexylmethylamino)methyl]cyclopentan-1-ol
CID 65107001
[1-[(thiolan-3-ylmethylamino)methyl]cyclopropyl]methanol
CID 107132321
1-cyclohexyl-N-(thiolan-3-ylmethyl)methanamine
CID 107131394
N-[(1-methoxycyclobutyl)methyl]-1-(thiolan-3-yl)methanamine
CID 107166780
N,N-dimethyl-1-[(thiolan-3-ylmethylamino)methyl]cyclobutan-1-amine
CID 107132507
1-[[(4-ethylcyclohexyl)methylamino]methyl]cycloheptan-1-ol
CID 63490303
1-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]cycloheptan-1-ol
CID 54937597
1-[(thiolan-3-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 107297586
1-(thian-3-ylmethyl)cyclobutan-1-ol
CID 115073620
1-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide
CID 107296158
1-[2-(thiolan-3-yl)ethyl]cyclopropan-1-ol
CID 115073542

Frequently Asked Questions

What is the IUPAC name of 1-[(thiolan-3-ylmethylamino)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[(thiolan-3-ylmethylamino)methyl]cycloheptan-1-ol (CID 107132168) is 1-[(thiolan-3-ylmethylamino)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[(thiolan-3-ylmethylamino)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[(thiolan-3-ylmethylamino)methyl]cycloheptan-1-ol is OC1(CNCC2CCSC2)CCCCCC1.
What is the InChIKey of 1-[(thiolan-3-ylmethylamino)methyl]cycloheptan-1-ol?
The InChIKey is VTZAENVARUULDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c15-13(6-3-1-2-4-7-13)11-14-9-12-5-8-16-10-12/h12,14-15H,1-11H2.
What are the key properties of 1-[(thiolan-3-ylmethylamino)methyl]cycloheptan-1-ol?
1-[(thiolan-3-ylmethylamino)methyl]cycloheptan-1-ol has a molecular weight of 243.42 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(thiolan-3-ylmethylamino)methyl]cycloheptan-1-ol is sourced from PubChem (CID 107132168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).