4-[[(1S)-1-cyclopentylethyl]amino]-1,1-dioxothiolan-3-ol

C11H21NO3S — CID 81394816

IUPAC4-[[(1S)-1-cyclopentylethyl]amino]-1,1-dioxothiolan-3-ol
SMILESC[C@H](NC1CS(=O)(=O)CC1O)C1CCCC1
InChIInChI=1S/C11H21NO3S/c1-8(9-4-2-3-5-9)12-10-6-16(14,15)7-11(10)13/h8-13H,2-7H2,1H3/t8-,10?,11?/m0/s1
InChIKeyPSGJUDLZZUVIHH-PUSIOWJLSA-N
MW247.36 g/mol
LogP0.31
Rot. Bonds3

About 4-[[(1S)-1-cyclopentylethyl]amino]-1,1-dioxothiolan-3-ol

4-[[(1S)-1-cyclopentylethyl]amino]-1,1-dioxothiolan-3-ol (PubChem CID 81394816) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 4-[[(1S)-1-cyclopentylethyl]amino]-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-[[(1S)-1-cyclopentylethyl]amino]-1,1-dioxothiolan-3-ol
PubChem CID81394816
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name4-[[(1S)-1-cyclopentylethyl]amino]-1,1-dioxothiolan-3-ol
SMILESC[C@H](NC1CS(=O)(=O)CC1O)C1CCCC1
InChIInChI=1S/C11H21NO3S/c1-8(9-4-2-3-5-9)12-10-6-16(14,15)7-11(10)13/h8-13H,2-7H2,1H3/t8-,10?,11?/m0/s1
InChIKeyPSGJUDLZZUVIHH-PUSIOWJLSA-N
XLogP0.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[(1S)-1-cyclopentylethyl]amino]-1,1-dioxothiolan-3-ol with MolForge

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Related Compounds

2-[[(1R)-1-cycloheptylethyl]amino]cycloheptan-1-ol
CID 81392910
trans-(1S,2S)-2-[[(1R)-1-cyclopentylethyl]amino]cyclopentan-1-ol
CID 102733833
2-[[(1R)-1-cyclopentylethyl]amino]cycloheptan-1-ol
CID 81395053
(3S,4R)-4-(cycloheptylamino)-1,1-dioxothiolan-3-ol
CID 51889318
trans-(1R,2R)-2-[[(1S)-1-cyclopropylethyl]amino]cyclohexan-1-ol
CID 124679605
4-[[(1R)-1-cyclopentylethyl]amino]oxolan-3-ol
CID 81394183
(3R,4S)-4-[[(2R)-6-methylheptan-2-yl]amino]-1,1-dioxothiolan-3-ol
CID 51971516
N-[(1S)-1-cyclopentylethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 81386134
trans-(1R,2R)-2-(1-cyclopropylethylamino)cyclobutan-1-ol
CID 130608509
4-[1-(4-chlorophenyl)ethylamino]-1,1-dioxothiolan-3-ol
CID 60666002
N-[(1S)-1-cyclohexylethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 81384891
(3S,4R)-4-[[(2S)-2-hydroxypropyl]amino]-1,1-dioxothiolan-3-ol
CID 124709547

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S)-1-cyclopentylethyl]amino]-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-[[(1S)-1-cyclopentylethyl]amino]-1,1-dioxothiolan-3-ol (CID 81394816) is 4-[[(1S)-1-cyclopentylethyl]amino]-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-[[(1S)-1-cyclopentylethyl]amino]-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-[[(1S)-1-cyclopentylethyl]amino]-1,1-dioxothiolan-3-ol is C[C@H](NC1CS(=O)(=O)CC1O)C1CCCC1.
What is the InChIKey of 4-[[(1S)-1-cyclopentylethyl]amino]-1,1-dioxothiolan-3-ol?
The InChIKey is PSGJUDLZZUVIHH-PUSIOWJLSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-8(9-4-2-3-5-9)12-10-6-16(14,15)7-11(10)13/h8-13H,2-7H2,1H3/t8-,10?,11?/m0/s1.
What are the key properties of 4-[[(1S)-1-cyclopentylethyl]amino]-1,1-dioxothiolan-3-ol?
4-[[(1S)-1-cyclopentylethyl]amino]-1,1-dioxothiolan-3-ol has a molecular weight of 247.36 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S)-1-cyclopentylethyl]amino]-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 81394816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).