4-[cyclopentylmethyl(methyl)amino]-1,1-dioxothiolan-3-ol

C11H21NO3S — CID 62059901

IUPAC4-[cyclopentylmethyl(methyl)amino]-1,1-dioxothiolan-3-ol
SMILESCN(CC1CCCC1)C1CS(=O)(=O)CC1O
InChIInChI=1S/C11H21NO3S/c1-12(6-9-4-2-3-5-9)10-7-16(14,15)8-11(10)13/h9-11,13H,2-8H2,1H3
InChIKeyNABGAMZIKGJGAV-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.27
Rot. Bonds3

About 4-[cyclopentylmethyl(methyl)amino]-1,1-dioxothiolan-3-ol

4-[cyclopentylmethyl(methyl)amino]-1,1-dioxothiolan-3-ol (PubChem CID 62059901) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 4-[cyclopentylmethyl(methyl)amino]-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-[cyclopentylmethyl(methyl)amino]-1,1-dioxothiolan-3-ol
PubChem CID62059901
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name4-[cyclopentylmethyl(methyl)amino]-1,1-dioxothiolan-3-ol
SMILESCN(CC1CCCC1)C1CS(=O)(=O)CC1O
InChIInChI=1S/C11H21NO3S/c1-12(6-9-4-2-3-5-9)10-7-16(14,15)8-11(10)13/h9-11,13H,2-8H2,1H3
InChIKeyNABGAMZIKGJGAV-UHFFFAOYSA-N
XLogP0.27
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 ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-3-{[(1R,2R)-2-fluorocyclopentyl](methyl)amino}-4-hydroxy-1lambda6-thiolane-1,1-dione
CID 168021300
(3R*,4R*)-4-{ethyl[(1-isopropylpiperidin-4-yl)methyl]amino}tetrahydrothiophene-3-ol 1,1-dioxide
CID 46987259
4-(4-Methyl-1-piperidinyl)tetrahydro-3-thiophenol 1,1-dioxide
CID 310073
(3S,4S)-3-[bis(2-methylpropyl)amino]-4-hydroxy-1lambda6-thiolane-1,1-dione
CID 7138780
(3S,4R)-4-[bis(2-methylpropyl)amino]-1,1-dioxothiolan-3-ol
CID 7138782
(3R,4S)-4-[bis(2-methylpropyl)amino]-1,1-dioxothiolan-3-ol
CID 7138784
(3R,4R)-4-[bis(2-methylpropyl)amino]-1,1-dioxothiolan-3-ol
CID 7138786
4-[Bis(2-methylpropyl)amino]-1,1-dioxothiolan-3-ol
CID 16641894
4-(4-Methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol chloride
CID 21179779
4-(2-Methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol
CID 21179781
(3R,4S)-4-(4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol
CID 51406346
(3R,4R)-4-(4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol
CID 51406348

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentylmethyl(methyl)amino]-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-[cyclopentylmethyl(methyl)amino]-1,1-dioxothiolan-3-ol (CID 62059901) is 4-[cyclopentylmethyl(methyl)amino]-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-[cyclopentylmethyl(methyl)amino]-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-[cyclopentylmethyl(methyl)amino]-1,1-dioxothiolan-3-ol is CN(CC1CCCC1)C1CS(=O)(=O)CC1O.
What is the InChIKey of 4-[cyclopentylmethyl(methyl)amino]-1,1-dioxothiolan-3-ol?
The InChIKey is NABGAMZIKGJGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-12(6-9-4-2-3-5-9)10-7-16(14,15)8-11(10)13/h9-11,13H,2-8H2,1H3.
What are the key properties of 4-[cyclopentylmethyl(methyl)amino]-1,1-dioxothiolan-3-ol?
4-[cyclopentylmethyl(methyl)amino]-1,1-dioxothiolan-3-ol has a molecular weight of 247.36 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopentylmethyl(methyl)amino]-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 62059901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).