[1-[[methyl-(2-methyloxolan-3-yl)amino]methyl]cyclopentyl]methanethiol

C13H25NOS — CID 82745987

IUPAC[1-[[methyl-(2-methyloxolan-3-yl)amino]methyl]cyclopentyl]methanethiol
SMILESCC1OCCC1N(C)CC1(CS)CCCC1
InChIInChI=1S/C13H25NOS/c1-11-12(5-8-15-11)14(2)9-13(10-16)6-3-4-7-13/h11-12,16H,3-10H2,1-2H3
InChIKeyXFKWGTIABXFRCE-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.59
Rot. Bonds4

About [1-[[methyl-(2-methyloxolan-3-yl)amino]methyl]cyclopentyl]methanethiol

[1-[[methyl-(2-methyloxolan-3-yl)amino]methyl]cyclopentyl]methanethiol (PubChem CID 82745987) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is [1-[[methyl-(2-methyloxolan-3-yl)amino]methyl]cyclopentyl]methanethiol.

Molecular Properties

Compound Name[1-[[methyl-(2-methyloxolan-3-yl)amino]methyl]cyclopentyl]methanethiol
PubChem CID82745987
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Name[1-[[methyl-(2-methyloxolan-3-yl)amino]methyl]cyclopentyl]methanethiol
SMILESCC1OCCC1N(C)CC1(CS)CCCC1
InChIInChI=1S/C13H25NOS/c1-11-12(5-8-15-11)14(2)9-13(10-16)6-3-4-7-13/h11-12,16H,3-10H2,1-2H3
InChIKeyXFKWGTIABXFRCE-UHFFFAOYSA-N
XLogP2.59
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

[1-[[methyl-(2-methyloxolan-3-yl)amino]methyl]cyclobutyl]methanethiol
CID 82744847
N,2-dimethyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]oxolan-3-amine
CID 82744009
N,2-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]oxolan-3-amine
CID 82743845
N-[[1-(aminomethyl)cyclopropyl]methyl]-N,2-dimethyloxolan-3-amine
CID 82740458
4-[[methyl-(2-methyloxolan-3-yl)amino]methyl]oxan-4-amine
CID 82740558
N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,2-dimethyloxolan-3-amine
CID 82743846
4-methyl-1-[[methyl-(2-methyloxolan-3-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 82744106
N-[1-(aminomethyl)cyclohexyl]-N,2-dimethyloxolan-3-amine
CID 82735395
[1-[[methyl(oxolan-3-yl)amino]methyl]cyclopropyl]methanethiol
CID 82744739
N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82718003
N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N,2-dimethyloxolan-3-amine
CID 82743684
1-[methyl-(2-methyloxolan-3-yl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 82734140

Frequently Asked Questions

What is the IUPAC name of [1-[[methyl-(2-methyloxolan-3-yl)amino]methyl]cyclopentyl]methanethiol?
The IUPAC name of [1-[[methyl-(2-methyloxolan-3-yl)amino]methyl]cyclopentyl]methanethiol (CID 82745987) is [1-[[methyl-(2-methyloxolan-3-yl)amino]methyl]cyclopentyl]methanethiol.
What is the SMILES notation for [1-[[methyl-(2-methyloxolan-3-yl)amino]methyl]cyclopentyl]methanethiol?
The canonical SMILES for [1-[[methyl-(2-methyloxolan-3-yl)amino]methyl]cyclopentyl]methanethiol is CC1OCCC1N(C)CC1(CS)CCCC1.
What is the InChIKey of [1-[[methyl-(2-methyloxolan-3-yl)amino]methyl]cyclopentyl]methanethiol?
The InChIKey is XFKWGTIABXFRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c1-11-12(5-8-15-11)14(2)9-13(10-16)6-3-4-7-13/h11-12,16H,3-10H2,1-2H3.
What are the key properties of [1-[[methyl-(2-methyloxolan-3-yl)amino]methyl]cyclopentyl]methanethiol?
[1-[[methyl-(2-methyloxolan-3-yl)amino]methyl]cyclopentyl]methanethiol has a molecular weight of 243.42 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[methyl-(2-methyloxolan-3-yl)amino]methyl]cyclopentyl]methanethiol is sourced from PubChem (CID 82745987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).