(3S)-3-[[[(2R)-hex-5-en-2-yl]amino]methyl]thiolan-3-ol

C11H21NOS — CID 99636838

IUPAC(3S)-3-[[[(2R)-hex-5-en-2-yl]amino]methyl]thiolan-3-ol
SMILESC=CCC[C@@H](C)NC[C@@]1(O)CCSC1
InChIInChI=1S/C11H21NOS/c1-3-4-5-10(2)12-8-11(13)6-7-14-9-11/h3,10,12-13H,1,4-9H2,2H3/t10-,11+/m1/s1
InChIKeyUMKPMUDXHLRZBP-MNOVXSKESA-N
MW215.36 g/mol
LogP1.80
Rot. Bonds6

About (3S)-3-[[[(2R)-hex-5-en-2-yl]amino]methyl]thiolan-3-ol

(3S)-3-[[[(2R)-hex-5-en-2-yl]amino]methyl]thiolan-3-ol (PubChem CID 99636838) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is (3S)-3-[[[(2R)-hex-5-en-2-yl]amino]methyl]thiolan-3-ol.

Molecular Properties

Compound Name(3S)-3-[[[(2R)-hex-5-en-2-yl]amino]methyl]thiolan-3-ol
PubChem CID99636838
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name(3S)-3-[[[(2R)-hex-5-en-2-yl]amino]methyl]thiolan-3-ol
SMILESC=CCC[C@@H](C)NC[C@@]1(O)CCSC1
InChIInChI=1S/C11H21NOS/c1-3-4-5-10(2)12-8-11(13)6-7-14-9-11/h3,10,12-13H,1,4-9H2,2H3/t10-,11+/m1/s1
InChIKeyUMKPMUDXHLRZBP-MNOVXSKESA-N
XLogP1.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3S)-3-[[[(2R)-hex-5-en-2-yl]amino]methyl]thiolan-3-ol with MolForge

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Related Compounds

1-[(hex-5-en-2-ylamino)methyl]cycloheptan-1-ol
CID 104582555
4-[(hexan-2-ylamino)methyl]thian-4-ol
CID 115722101
3-[(1-cyclopentylethylamino)methyl]thiolan-3-ol
CID 115726349
1-(azepan-1-yl)-3-[(3-hydroxythiolan-3-yl)methylamino]butan-1-one
CID 84589084
1-methyl-4-[(6-methylhept-5-en-2-ylamino)methyl]piperidin-4-ol
CID 131903414
1-[(3-hydroxythiolan-3-yl)methyl]-3-propan-2-ylurea
CID 111597399
N'-hex-5-en-2-ylethane-1,2-diamine
CID 104655615
3-hydroxy-3-[(sulfamoylamino)methyl]thiolane
CID 130742374
(3R)-3-[[(3S)-3-hydroxythiolan-3-yl]methylamino]-N-(2-propan-2-ylphenyl)butanamide
CID 97233121
(3R)-3-[[[(1R)-1-(5-chloro-2-methoxyphenyl)ethyl]amino]methyl]thiolan-3-ol
CID 97233124
1-[(3-hydroxythiolan-3-yl)methyl]-3-(4-methylpentyl)urea
CID 111618516
3-fluoro-4-[1-[(3-hydroxythiolan-3-yl)methylamino]ethyl]benzonitrile
CID 110028647

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[[(2R)-hex-5-en-2-yl]amino]methyl]thiolan-3-ol?
The IUPAC name of (3S)-3-[[[(2R)-hex-5-en-2-yl]amino]methyl]thiolan-3-ol (CID 99636838) is (3S)-3-[[[(2R)-hex-5-en-2-yl]amino]methyl]thiolan-3-ol.
What is the SMILES notation for (3S)-3-[[[(2R)-hex-5-en-2-yl]amino]methyl]thiolan-3-ol?
The canonical SMILES for (3S)-3-[[[(2R)-hex-5-en-2-yl]amino]methyl]thiolan-3-ol is C=CCC[C@@H](C)NC[C@@]1(O)CCSC1.
What is the InChIKey of (3S)-3-[[[(2R)-hex-5-en-2-yl]amino]methyl]thiolan-3-ol?
The InChIKey is UMKPMUDXHLRZBP-MNOVXSKESA-N. The full InChI is InChI=1S/C11H21NOS/c1-3-4-5-10(2)12-8-11(13)6-7-14-9-11/h3,10,12-13H,1,4-9H2,2H3/t10-,11+/m1/s1.
What are the key properties of (3S)-3-[[[(2R)-hex-5-en-2-yl]amino]methyl]thiolan-3-ol?
(3S)-3-[[[(2R)-hex-5-en-2-yl]amino]methyl]thiolan-3-ol has a molecular weight of 215.36 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[[(2R)-hex-5-en-2-yl]amino]methyl]thiolan-3-ol is sourced from PubChem (CID 99636838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).