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

C10H21NOS — CID 135393035

IUPAC3-[(thietan-3-ylamino)methyl]hexan-1-ol
SMILESCCCC(CCO)CNC1CSC1
InChIInChI=1S/C10H21NOS/c1-2-3-9(4-5-12)6-11-10-7-13-8-10/h9-12H,2-8H2,1H3
InChIKeyNLFMFXFESPBYAU-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.49
Rot. Bonds7

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

3-[(thietan-3-ylamino)methyl]hexan-1-ol (PubChem CID 135393035) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 3-[(thietan-3-ylamino)methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[(thietan-3-ylamino)methyl]hexan-1-ol
PubChem CID135393035
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name3-[(thietan-3-ylamino)methyl]hexan-1-ol
SMILESCCCC(CCO)CNC1CSC1
InChIInChI=1S/C10H21NOS/c1-2-3-9(4-5-12)6-11-10-7-13-8-10/h9-12H,2-8H2,1H3
InChIKeyNLFMFXFESPBYAU-UHFFFAOYSA-N
XLogP1.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(thiolan-3-ylamino)methyl]hexan-1-ol
CID 115725378
3-[(thian-3-ylamino)methyl]hexan-1-ol
CID 115882200
3-[(thian-4-ylamino)methyl]hexan-1-ol
CID 111470638
3-[[(3-aminocyclopentyl)amino]methyl]hexan-1-ol
CID 106114664
3-[[(4,4-dimethylthian-3-yl)amino]methyl]hexan-1-ol
CID 106114383
3-[[(3-methylcyclohexyl)amino]methyl]hexan-1-ol
CID 115660374
trans-(1R,2R)-2-[2-(2-hydroxyethyl)pentylamino]cyclopentan-1-ol
CID 106115022
N-(2-propylhexyl)thiolan-3-amine
CID 115727503
1-[4-[2-(2-hydroxyethyl)pentylamino]piperidin-1-yl]ethanone
CID 103707935
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
3-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]hexan-1-ol
CID 106115395

Frequently Asked Questions

What is the IUPAC name of 3-[(thietan-3-ylamino)methyl]hexan-1-ol?
The IUPAC name of 3-[(thietan-3-ylamino)methyl]hexan-1-ol (CID 135393035) is 3-[(thietan-3-ylamino)methyl]hexan-1-ol.
What is the SMILES notation for 3-[(thietan-3-ylamino)methyl]hexan-1-ol?
The canonical SMILES for 3-[(thietan-3-ylamino)methyl]hexan-1-ol is CCCC(CCO)CNC1CSC1.
What is the InChIKey of 3-[(thietan-3-ylamino)methyl]hexan-1-ol?
The InChIKey is NLFMFXFESPBYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-2-3-9(4-5-12)6-11-10-7-13-8-10/h9-12H,2-8H2,1H3.
What are the key properties of 3-[(thietan-3-ylamino)methyl]hexan-1-ol?
3-[(thietan-3-ylamino)methyl]hexan-1-ol has a molecular weight of 203.35 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(thietan-3-ylamino)methyl]hexan-1-ol is sourced from PubChem (CID 135393035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).