[2-[(1,1-dioxothian-4-yl)amino]cyclopentyl]methanol

C11H21NO3S — CID 106359448

IUPAC[2-[(1,1-dioxothian-4-yl)amino]cyclopentyl]methanol
SMILESO=S1(=O)CCC(NC2CCCC2CO)CC1
InChIInChI=1S/C11H21NO3S/c13-8-9-2-1-3-11(9)12-10-4-6-16(14,15)7-5-10/h9-13H,1-8H2
InChIKeyXKKVXOITAQRFFD-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.31
Rot. Bonds3

About [2-[(1,1-dioxothian-4-yl)amino]cyclopentyl]methanol

[2-[(1,1-dioxothian-4-yl)amino]cyclopentyl]methanol (PubChem CID 106359448) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is [2-[(1,1-dioxothian-4-yl)amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[(1,1-dioxothian-4-yl)amino]cyclopentyl]methanol
PubChem CID106359448
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name[2-[(1,1-dioxothian-4-yl)amino]cyclopentyl]methanol
SMILESO=S1(=O)CCC(NC2CCCC2CO)CC1
InChIInChI=1S/C11H21NO3S/c13-8-9-2-1-3-11(9)12-10-4-6-16(14,15)7-5-10/h9-13H,1-8H2
InChIKeyXKKVXOITAQRFFD-UHFFFAOYSA-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

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Related Compounds

[2-[(1,1-dioxothiolan-3-yl)amino]cyclohexyl]methanol
CID 104866380
[2-(cyclopropylamino)cyclopentyl]methanol
CID 83863384
N-(2-ethylcyclopentyl)-1,1-dioxothiolan-3-amine
CID 115707658
[2-[(1,1-dioxothiolan-3-yl)amino]cyclopropyl]methanol
CID 131041538
[2-[(1-methylazepan-4-yl)amino]cyclopentyl]methanol
CID 103859826
[2-[(3-methylcyclobutyl)amino]cyclopentyl]methanol
CID 104859835
[2-[(3-aminocyclobutyl)amino]cyclopentyl]methanol
CID 106359486
[2-[(4-tert-butylcyclohexyl)amino]cyclopentyl]methanol
CID 103700508
[2-[(4-methoxycyclohexyl)amino]cyclopentyl]methanol
CID 104530328
[2-[(3-methylcyclobutyl)amino]cyclohexyl]methanol
CID 104859822
2-[[2-(hydroxymethyl)cyclohexyl]amino]cyclopentan-1-ol
CID 106361174
[2-[[2-(aminomethyl)cyclopentyl]amino]cyclohexyl]methanol
CID 106359831

Frequently Asked Questions

What is the IUPAC name of [2-[(1,1-dioxothian-4-yl)amino]cyclopentyl]methanol?
The IUPAC name of [2-[(1,1-dioxothian-4-yl)amino]cyclopentyl]methanol (CID 106359448) is [2-[(1,1-dioxothian-4-yl)amino]cyclopentyl]methanol.
What is the SMILES notation for [2-[(1,1-dioxothian-4-yl)amino]cyclopentyl]methanol?
The canonical SMILES for [2-[(1,1-dioxothian-4-yl)amino]cyclopentyl]methanol is O=S1(=O)CCC(NC2CCCC2CO)CC1.
What is the InChIKey of [2-[(1,1-dioxothian-4-yl)amino]cyclopentyl]methanol?
The InChIKey is XKKVXOITAQRFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c13-8-9-2-1-3-11(9)12-10-4-6-16(14,15)7-5-10/h9-13H,1-8H2.
What are the key properties of [2-[(1,1-dioxothian-4-yl)amino]cyclopentyl]methanol?
[2-[(1,1-dioxothian-4-yl)amino]cyclopentyl]methanol 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 [2-[(1,1-dioxothian-4-yl)amino]cyclopentyl]methanol is sourced from PubChem (CID 106359448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).