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

C10H19NOS — CID 107132476

IUPAC1-[(thiolan-3-ylmethylamino)methyl]cyclobutan-1-ol
SMILESOC1(CNCC2CCSC2)CCC1
InChIInChI=1S/C10H19NOS/c12-10(3-1-4-10)8-11-6-9-2-5-13-7-9/h9,11-12H,1-8H2
InChIKeyIEOGUKQDQMKDQJ-UHFFFAOYSA-N
MW201.33 g/mol
LogP1.24
Rot. Bonds4

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

1-[(thiolan-3-ylmethylamino)methyl]cyclobutan-1-ol (PubChem CID 107132476) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 1-[(thiolan-3-ylmethylamino)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[(thiolan-3-ylmethylamino)methyl]cyclobutan-1-ol
PubChem CID107132476
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name1-[(thiolan-3-ylmethylamino)methyl]cyclobutan-1-ol
SMILESOC1(CNCC2CCSC2)CCC1
InChIInChI=1S/C10H19NOS/c12-10(3-1-4-10)8-11-6-9-2-5-13-7-9/h9,11-12H,1-8H2
InChIKeyIEOGUKQDQMKDQJ-UHFFFAOYSA-N
XLogP1.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(thiolan-3-ylmethylamino)methyl]cycloheptan-1-ol
CID 107132168
[1-[(thiolan-3-ylmethylamino)methyl]cyclopropyl]methanol
CID 107132321
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-[(cyclohexylmethylamino)methyl]cyclopentan-1-ol
CID 65107001
1-cyclohexyl-N-(thiolan-3-ylmethyl)methanamine
CID 107131394
1-(thian-3-ylmethyl)cyclobutan-1-ol
CID 115073620
1-[2-(thiolan-3-yl)ethyl]cyclopropan-1-ol
CID 115073542
1-[[(4-ethylcyclohexyl)methylamino]methyl]cycloheptan-1-ol
CID 63490303
2,2-dimethyl-N-(thiolan-3-ylmethyl)propan-1-amine
CID 107131923
[2-[(thiolan-3-ylmethylamino)methyl]cyclohexyl]methanol
CID 107132192
1-amino-N-(thiolan-3-ylmethyl)cyclopropane-1-carboxamide
CID 107296095

Frequently Asked Questions

What is the IUPAC name of 1-[(thiolan-3-ylmethylamino)methyl]cyclobutan-1-ol?
The IUPAC name of 1-[(thiolan-3-ylmethylamino)methyl]cyclobutan-1-ol (CID 107132476) is 1-[(thiolan-3-ylmethylamino)methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[(thiolan-3-ylmethylamino)methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[(thiolan-3-ylmethylamino)methyl]cyclobutan-1-ol is OC1(CNCC2CCSC2)CCC1.
What is the InChIKey of 1-[(thiolan-3-ylmethylamino)methyl]cyclobutan-1-ol?
The InChIKey is IEOGUKQDQMKDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c12-10(3-1-4-10)8-11-6-9-2-5-13-7-9/h9,11-12H,1-8H2.
What are the key properties of 1-[(thiolan-3-ylmethylamino)methyl]cyclobutan-1-ol?
1-[(thiolan-3-ylmethylamino)methyl]cyclobutan-1-ol has a molecular weight of 201.33 g/mol, XLogP of 1.24, 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]cyclobutan-1-ol is sourced from PubChem (CID 107132476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).