3-[(thiolan-3-ylamino)methyl]hexan-1-ol

C11H23NOS — CID 115725378

IUPAC3-[(thiolan-3-ylamino)methyl]hexan-1-ol
SMILESCCCC(CCO)CNC1CCSC1
InChIInChI=1S/C11H23NOS/c1-2-3-10(4-6-13)8-12-11-5-7-14-9-11/h10-13H,2-9H2,1H3
InChIKeySMEKHKLFUBKNAZ-UHFFFAOYSA-N
MW217.38 g/mol
LogP1.88
Rot. Bonds7

About 3-[(thiolan-3-ylamino)methyl]hexan-1-ol

3-[(thiolan-3-ylamino)methyl]hexan-1-ol (PubChem CID 115725378) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 3-[(thiolan-3-ylamino)methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[(thiolan-3-ylamino)methyl]hexan-1-ol
PubChem CID115725378
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name3-[(thiolan-3-ylamino)methyl]hexan-1-ol
SMILESCCCC(CCO)CNC1CCSC1
InChIInChI=1S/C11H23NOS/c1-2-3-10(4-6-13)8-12-11-5-7-14-9-11/h10-13H,2-9H2,1H3
InChIKeySMEKHKLFUBKNAZ-UHFFFAOYSA-N
XLogP1.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(thian-3-ylamino)methyl]hexan-1-ol
CID 115882200
3-[(thian-4-ylamino)methyl]hexan-1-ol
CID 111470638
3-[(thietan-3-ylamino)methyl]hexan-1-ol
CID 135393035
N-(2-propylhexyl)thiolan-3-amine
CID 115727503
3-[[(4,4-dimethylthian-3-yl)amino]methyl]hexan-1-ol
CID 106114383
3-[[(3-aminocyclopentyl)amino]methyl]hexan-1-ol
CID 106114664
(2S)-1-[[(3S)-thiolan-3-yl]amino]propan-2-ol
CID 93033310
3-[[(3-methylcyclohexyl)amino]methyl]hexan-1-ol
CID 115660374
1-[4-[2-(2-hydroxyethyl)pentylamino]piperidin-1-yl]ethanone
CID 103707935
3-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]hexan-1-ol
CID 106115395
3-[[(2-ethyl-2-methyloxan-4-yl)amino]methyl]hexan-1-ol
CID 106114365
3-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]hexan-1-ol
CID 103787444

Frequently Asked Questions

What is the IUPAC name of 3-[(thiolan-3-ylamino)methyl]hexan-1-ol?
The IUPAC name of 3-[(thiolan-3-ylamino)methyl]hexan-1-ol (CID 115725378) is 3-[(thiolan-3-ylamino)methyl]hexan-1-ol.
What is the SMILES notation for 3-[(thiolan-3-ylamino)methyl]hexan-1-ol?
The canonical SMILES for 3-[(thiolan-3-ylamino)methyl]hexan-1-ol is CCCC(CCO)CNC1CCSC1.
What is the InChIKey of 3-[(thiolan-3-ylamino)methyl]hexan-1-ol?
The InChIKey is SMEKHKLFUBKNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-2-3-10(4-6-13)8-12-11-5-7-14-9-11/h10-13H,2-9H2,1H3.
What are the key properties of 3-[(thiolan-3-ylamino)methyl]hexan-1-ol?
3-[(thiolan-3-ylamino)methyl]hexan-1-ol has a molecular weight of 217.38 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(thiolan-3-ylamino)methyl]hexan-1-ol is sourced from PubChem (CID 115725378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).