3-[(thiolan-3-ylamino)methyl]piperidin-3-ol

C10H20N2OS — CID 105470495

IUPAC3-[(thiolan-3-ylamino)methyl]piperidin-3-ol
SMILESOC1(CNC2CCSC2)CCCNC1
InChIInChI=1S/C10H20N2OS/c13-10(3-1-4-11-7-10)8-12-9-2-5-14-6-9/h9,11-13H,1-8H2
InChIKeyGMFOOLRJHRRUBF-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.20
Rot. Bonds3

About 3-[(thiolan-3-ylamino)methyl]piperidin-3-ol

3-[(thiolan-3-ylamino)methyl]piperidin-3-ol (PubChem CID 105470495) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 3-[(thiolan-3-ylamino)methyl]piperidin-3-ol.

Molecular Properties

Compound Name3-[(thiolan-3-ylamino)methyl]piperidin-3-ol
PubChem CID105470495
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name3-[(thiolan-3-ylamino)methyl]piperidin-3-ol
SMILESOC1(CNC2CCSC2)CCCNC1
InChIInChI=1S/C10H20N2OS/c13-10(3-1-4-11-7-10)8-12-9-2-5-14-6-9/h9,11-13H,1-8H2
InChIKeyGMFOOLRJHRRUBF-UHFFFAOYSA-N
XLogP0.20
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1,4-dithiepan-6-ylamino)methyl]pyrrolidin-3-ol;dihydrochloride
CID 154913675
3-[(cyclopropylamino)methyl]pyrrolidin-3-ol;hydrochloride
CID 19805339
3-[(piperidin-4-ylamino)methyl]pyrrolidin-3-ol
CID 105452360
2-[1-[(thiolan-3-ylamino)methyl]cyclohexyl]ethanol
CID 115727241
3-methyl-1-[(thian-3-ylamino)methyl]cyclohexan-1-ol
CID 65116501
3-[(oxan-4-ylamino)methyl]pyrrolidin-3-ol
CID 105452951
4-ethyl-1-[(thian-3-ylamino)methyl]cyclohexan-1-ol
CID 65116047
(3S)-N-[[1-(methoxymethyl)cyclopentyl]methyl]thiolan-3-amine
CID 126454601
1-[(cycloheptylamino)methyl]cycloheptan-1-ol
CID 60710664
1-[(cyclobutylamino)methyl]cycloheptan-1-ol
CID 62416530
4-methyl-1-[(thian-4-ylamino)methyl]cyclohexan-1-ol
CID 65117892
[1-[(thian-3-ylamino)methyl]cyclohexyl]methanol
CID 103966001

Frequently Asked Questions

What is the IUPAC name of 3-[(thiolan-3-ylamino)methyl]piperidin-3-ol?
The IUPAC name of 3-[(thiolan-3-ylamino)methyl]piperidin-3-ol (CID 105470495) is 3-[(thiolan-3-ylamino)methyl]piperidin-3-ol.
What is the SMILES notation for 3-[(thiolan-3-ylamino)methyl]piperidin-3-ol?
The canonical SMILES for 3-[(thiolan-3-ylamino)methyl]piperidin-3-ol is OC1(CNC2CCSC2)CCCNC1.
What is the InChIKey of 3-[(thiolan-3-ylamino)methyl]piperidin-3-ol?
The InChIKey is GMFOOLRJHRRUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c13-10(3-1-4-11-7-10)8-12-9-2-5-14-6-9/h9,11-13H,1-8H2.
What are the key properties of 3-[(thiolan-3-ylamino)methyl]piperidin-3-ol?
3-[(thiolan-3-ylamino)methyl]piperidin-3-ol has a molecular weight of 216.35 g/mol, XLogP of 0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(thiolan-3-ylamino)methyl]piperidin-3-ol is sourced from PubChem (CID 105470495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).