1-cyclopentyl-3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]propan-2-ol

C12H21NO3S — CID 103157951

IUPAC1-cyclopentyl-3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]propan-2-ol
SMILESO=S1(=O)C=CC(NCC(O)CC2CCCC2)C1
InChIInChI=1S/C12H21NO3S/c14-12(7-10-3-1-2-4-10)8-13-11-5-6-17(15,16)9-11/h5-6,10-14H,1-4,7-9H2
InChIKeyCNRUNIICEFFKRV-UHFFFAOYSA-N
MW259.37 g/mol
LogP0.83
Rot. Bonds5

About 1-cyclopentyl-3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]propan-2-ol

1-cyclopentyl-3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]propan-2-ol (PubChem CID 103157951) has the molecular formula C12H21NO3S and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]propan-2-ol
PubChem CID103157951
Molecular FormulaC12H21NO3S
Molecular Weight259.37 g/mol
Exact Mass259.12
IUPAC Name1-cyclopentyl-3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]propan-2-ol
SMILESO=S1(=O)C=CC(NCC(O)CC2CCCC2)C1
InChIInChI=1S/C12H21NO3S/c14-12(7-10-3-1-2-4-10)8-13-11-5-6-17(15,16)9-11/h5-6,10-14H,1-4,7-9H2
InChIKeyCNRUNIICEFFKRV-UHFFFAOYSA-N
XLogP0.83
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-3-(2-methoxyethoxy)propan-2-ol
CID 106990097
1-cyclopentyl-3-hydrazinylpropan-2-ol
CID 103156923
N-(3-methylbut-2-enyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 103605385
N-carbamoyl-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide
CID 60694060
N-(2-fluoroethyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 80693750
N-(3-methylbutyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 60694979
1-cyclopentyl-3-(2,3-dihydro-1H-inden-1-ylamino)propan-2-ol
CID 103157324
1-cyclopentyl-3-(1,1-dioxothiolan-3-yl)propan-2-ol
CID 105090384
1-[(3-cyclopentyl-2-hydroxypropyl)amino]cyclopropane-1-carboxylic acid
CID 103159405
1-cyclopentyl-3-[[2-(hydroxymethyl)cyclopentyl]amino]propan-2-ol
CID 106360589
3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 104644664
1-cyclopentyl-3-[(4-methylsulfanylcyclohexyl)amino]propan-2-ol
CID 114123365

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]propan-2-ol (CID 103157951) is 1-cyclopentyl-3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]propan-2-ol is O=S1(=O)C=CC(NCC(O)CC2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]propan-2-ol?
The InChIKey is CNRUNIICEFFKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3S/c14-12(7-10-3-1-2-4-10)8-13-11-5-6-17(15,16)9-11/h5-6,10-14H,1-4,7-9H2.
What are the key properties of 1-cyclopentyl-3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]propan-2-ol?
1-cyclopentyl-3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]propan-2-ol has a molecular weight of 259.37 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]propan-2-ol is sourced from PubChem (CID 103157951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).