1-[[(2-methylthiolan-3-yl)amino]methyl]cyclopentan-1-ol

C11H21NOS — CID 102672215

IUPAC1-[[(2-methylthiolan-3-yl)amino]methyl]cyclopentan-1-ol
SMILESCC1SCCC1NCC1(O)CCCC1
InChIInChI=1S/C11H21NOS/c1-9-10(4-7-14-9)12-8-11(13)5-2-3-6-11/h9-10,12-13H,2-8H2,1H3
InChIKeyRWZRUHBZABIANG-UHFFFAOYSA-N
MW215.36 g/mol
LogP1.78
Rot. Bonds3

About 1-[[(2-methylthiolan-3-yl)amino]methyl]cyclopentan-1-ol

1-[[(2-methylthiolan-3-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 102672215) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 1-[[(2-methylthiolan-3-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(2-methylthiolan-3-yl)amino]methyl]cyclopentan-1-ol
PubChem CID102672215
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name1-[[(2-methylthiolan-3-yl)amino]methyl]cyclopentan-1-ol
SMILESCC1SCCC1NCC1(O)CCCC1
InChIInChI=1S/C11H21NOS/c1-9-10(4-7-14-9)12-8-11(13)5-2-3-6-11/h9-10,12-13H,2-8H2,1H3
InChIKeyRWZRUHBZABIANG-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(Propan-2-ylamino)methyl]thian-3-ol
CID 177955386
(2R)-1,1,1-tris(methylsulfanyl)-2-[(2S)-pyrrolidin-2-yl]propan-2-ol
CID 10901592
(1R)-1-(1,3-dithian-2-yl)-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 10988172
1-[(Thian-4-ylamino)methyl]cyclopentan-1-ol
CID 63932057
1-[[(2-Methylsulfonylcyclopentyl)amino]methyl]cyclopentan-1-ol
CID 65105166
1-[(Thiolan-3-ylamino)methyl]cyclopentan-1-ol
CID 65105525
1-[[(1-Oxothian-4-yl)amino]methyl]cyclopentan-1-ol
CID 65105738
1-[(3-Methylsulfanylpropylamino)methyl]cyclopentan-1-ol
CID 65105842
3-{[(1-Hydroxycyclopentyl)methyl]amino}-1lambda6-thiolane-1,1-dione
CID 65105845
1-[(Thian-3-ylamino)methyl]cyclopentan-1-ol
CID 65107010
1-[(1-Methylsulfonylpropan-2-ylamino)methyl]cyclopentan-1-ol
CID 65107158
1-{[(Thiolan-3-yl)amino]methyl}cyclohexan-1-ol
CID 65107483

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-methylthiolan-3-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(2-methylthiolan-3-yl)amino]methyl]cyclopentan-1-ol (CID 102672215) is 1-[[(2-methylthiolan-3-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(2-methylthiolan-3-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(2-methylthiolan-3-yl)amino]methyl]cyclopentan-1-ol is CC1SCCC1NCC1(O)CCCC1.
What is the InChIKey of 1-[[(2-methylthiolan-3-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is RWZRUHBZABIANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-9-10(4-7-14-9)12-8-11(13)5-2-3-6-11/h9-10,12-13H,2-8H2,1H3.
What are the key properties of 1-[[(2-methylthiolan-3-yl)amino]methyl]cyclopentan-1-ol?
1-[[(2-methylthiolan-3-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 215.36 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-methylthiolan-3-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 102672215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).