1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentan-1-ol

C11H21NO3S — CID 65213210

IUPAC1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H21NO3S/c1-12(9-11(13)5-2-3-6-11)10-4-7-16(14,15)8-10/h10,13H,2-9H2,1H3
InChIKeyWMHMIVBXOYWEBU-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.41
Rot. Bonds3

About 1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentan-1-ol

1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentan-1-ol (PubChem CID 65213210) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentan-1-ol
PubChem CID65213210
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H21NO3S/c1-12(9-11(13)5-2-3-6-11)10-4-7-16(14,15)8-10/h10,13H,2-9H2,1H3
InChIKeyWMHMIVBXOYWEBU-UHFFFAOYSA-N
XLogP0.41
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(1,1-Dioxothiolan-3-yl)-methylamino]methyl]cyclohexan-1-ol
CID 61518781
4-[Cyclopentylmethyl(methyl)amino]-1,1-dioxothiolan-3-ol
CID 62059901
1-Amino-6-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methylhexan-2-ol
CID 64819543
1-[[(2-Methylsulfonylcyclopentyl)amino]methyl]cyclopentan-1-ol
CID 65105166
3-{[(1-Hydroxycyclopentyl)methyl]amino}-1lambda6-thiolane-1,1-dione
CID 65105845
1-[(1-Methylsulfonylpropan-2-ylamino)methyl]cyclopentan-1-ol
CID 65107158
1-[(3-Ethylsulfonylpropylamino)methyl]cyclopentan-1-ol
CID 65111787
1-Cyclopropyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol
CID 65145609
1-Cyclopropyl-3-(3-ethylsulfonylpropyl)pyrrolidin-3-ol
CID 65145768
1-Methyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol
CID 65146620
3-(3-Ethylsulfonylpropyl)-1-methylpyrrolidin-3-ol
CID 65146779
1-[[(3-Methyl-1,1-dioxothiolan-3-yl)amino]methyl]cyclopentan-1-ol
CID 65210845

Frequently Asked Questions

What is the IUPAC name of 1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentan-1-ol (CID 65213210) is 1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentan-1-ol is CN(CC1(O)CCCC1)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is WMHMIVBXOYWEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-12(9-11(13)5-2-3-6-11)10-4-7-16(14,15)8-10/h10,13H,2-9H2,1H3.
What are the key properties of 1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentan-1-ol?
1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 247.36 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 65213210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).