[2-(thiolan-3-ylamino)cyclohexyl]methanol

C11H21NOS — CID 103784945

IUPAC[2-(thiolan-3-ylamino)cyclohexyl]methanol
SMILESOCC1CCCCC1NC1CCSC1
InChIInChI=1S/C11H21NOS/c13-7-9-3-1-2-4-11(9)12-10-5-6-14-8-10/h9-13H,1-8H2
InChIKeySFTCTULRMQLPKW-UHFFFAOYSA-N
MW215.36 g/mol
LogP1.63
Rot. Bonds3

About [2-(thiolan-3-ylamino)cyclohexyl]methanol

[2-(thiolan-3-ylamino)cyclohexyl]methanol (PubChem CID 103784945) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is [2-(thiolan-3-ylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[2-(thiolan-3-ylamino)cyclohexyl]methanol
PubChem CID103784945
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name[2-(thiolan-3-ylamino)cyclohexyl]methanol
SMILESOCC1CCCCC1NC1CCSC1
InChIInChI=1S/C11H21NOS/c13-7-9-3-1-2-4-11(9)12-10-5-6-14-8-10/h9-13H,1-8H2
InChIKeySFTCTULRMQLPKW-UHFFFAOYSA-N
XLogP1.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]thiolan-3-amine
CID 103062677
trans-(1R,2R)-2-(thiolan-3-ylamino)cyclohexan-1-ol
CID 104926602
[2-(cyclopropylamino)cyclopentyl]methanol
CID 83863384
[2-[(3-methylcyclobutyl)amino]cyclohexyl]methanol
CID 104859822
N-(2-ethylcyclopentyl)thian-3-amine
CID 115726681
[2-(thiolan-3-ylmethylamino)cyclopentyl]methanol
CID 107166450
N-[(1R,2R)-2-methylcyclopropyl]thiolan-3-amine
CID 131110851
N-(2-methylcyclopentyl)thiolan-3-amine
CID 63277405
[2-[(2-methylthian-3-yl)amino]cyclohexyl]methanol
CID 106359743
trans-(1S,2S)-2-[[(3R)-thian-3-yl]amino]cyclohexan-1-ol
CID 94887280
[2-[(3-methylcyclobutyl)amino]cyclopentyl]methanol
CID 104859835
[2-[(3-aminocyclobutyl)amino]cyclopentyl]methanol
CID 106359486

Frequently Asked Questions

What is the IUPAC name of [2-(thiolan-3-ylamino)cyclohexyl]methanol?
The IUPAC name of [2-(thiolan-3-ylamino)cyclohexyl]methanol (CID 103784945) is [2-(thiolan-3-ylamino)cyclohexyl]methanol.
What is the SMILES notation for [2-(thiolan-3-ylamino)cyclohexyl]methanol?
The canonical SMILES for [2-(thiolan-3-ylamino)cyclohexyl]methanol is OCC1CCCCC1NC1CCSC1.
What is the InChIKey of [2-(thiolan-3-ylamino)cyclohexyl]methanol?
The InChIKey is SFTCTULRMQLPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c13-7-9-3-1-2-4-11(9)12-10-5-6-14-8-10/h9-13H,1-8H2.
What are the key properties of [2-(thiolan-3-ylamino)cyclohexyl]methanol?
[2-(thiolan-3-ylamino)cyclohexyl]methanol has a molecular weight of 215.36 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(thiolan-3-ylamino)cyclohexyl]methanol is sourced from PubChem (CID 103784945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).