2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cycloheptan-1-ol

C13H25NO3S — CID 62609025

IUPAC2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cycloheptan-1-ol
SMILESCN(CC1CCCCCC1O)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H25NO3S/c1-14(12-7-8-18(16,17)10-12)9-11-5-3-2-4-6-13(11)15/h11-13,15H,2-10H2,1H3
InChIKeyCHYMNHBPRHDKDC-UHFFFAOYSA-N
MW275.41 g/mol
LogP1.05
Rot. Bonds3

About 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cycloheptan-1-ol

2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cycloheptan-1-ol (PubChem CID 62609025) has the molecular formula C13H25NO3S and a molecular weight of 275.41 g/mol. Its IUPAC name is 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cycloheptan-1-ol
PubChem CID62609025
Molecular FormulaC13H25NO3S
Molecular Weight275.41 g/mol
Exact Mass275.16
IUPAC Name2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cycloheptan-1-ol
SMILESCN(CC1CCCCCC1O)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H25NO3S/c1-14(12-7-8-18(16,17)10-12)9-11-5-3-2-4-6-13(11)15/h11-13,15H,2-10H2,1H3
InChIKeyCHYMNHBPRHDKDC-UHFFFAOYSA-N
XLogP1.05
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-aminocyclohexyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 55093827
2-[[methyl-(4-methylcyclohexyl)amino]methyl]cycloheptan-1-ol
CID 62611154
N-[(2-amino-3,3-dimethylcyclohexyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 79853273
1-(azepan-1-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone
CID 109001842
1-(azepan-1-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propan-1-one
CID 109026751
N'-(1,1-dioxothiolan-3-yl)-N'-methyl-2-methylidenepropane-1,3-diamine
CID 103069493
3-[(1,1-dioxothiolan-3-yl)-methylamino]propanoic acid
CID 18801610
2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-prop-2-ynylacetamide
CID 94187187
N-(2,3-dichlorophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide
CID 18191468
N-[(3,3-dimethylpiperidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 114084405
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 51199480
3-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methylpropanoic acid
CID 43648891

Frequently Asked Questions

What is the IUPAC name of 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cycloheptan-1-ol?
The IUPAC name of 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cycloheptan-1-ol (CID 62609025) is 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cycloheptan-1-ol?
The canonical SMILES for 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cycloheptan-1-ol is CN(CC1CCCCCC1O)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cycloheptan-1-ol?
The InChIKey is CHYMNHBPRHDKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3S/c1-14(12-7-8-18(16,17)10-12)9-11-5-3-2-4-6-13(11)15/h11-13,15H,2-10H2,1H3.
What are the key properties of 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cycloheptan-1-ol?
2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cycloheptan-1-ol has a molecular weight of 275.41 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 62609025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).