1-(2-bicyclo[2.2.1]heptanyl)-3-(1,1-dioxothiolan-3-yl)propan-2-amine

C14H25NO2S — CID 105167856

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-(1,1-dioxothiolan-3-yl)propan-2-amine
SMILESNC(CC1CCS(=O)(=O)C1)CC1CC2CCC1C2
InChIInChI=1S/C14H25NO2S/c15-14(7-11-3-4-18(16,17)9-11)8-13-6-10-1-2-12(13)5-10/h10-14H,1-9,15H2
InChIKeyHSZHFWKTMKGPPR-UHFFFAOYSA-N
MW271.43 g/mol
LogP1.96
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)-3-(1,1-dioxothiolan-3-yl)propan-2-amine

1-(2-bicyclo[2.2.1]heptanyl)-3-(1,1-dioxothiolan-3-yl)propan-2-amine (PubChem CID 105167856) has the molecular formula C14H25NO2S and a molecular weight of 271.43 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-3-(1,1-dioxothiolan-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-(1,1-dioxothiolan-3-yl)propan-2-amine
PubChem CID105167856
Molecular FormulaC14H25NO2S
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-(1,1-dioxothiolan-3-yl)propan-2-amine
SMILESNC(CC1CCS(=O)(=O)C1)CC1CC2CCC1C2
InChIInChI=1S/C14H25NO2S/c15-14(7-11-3-4-18(16,17)9-11)8-13-6-10-1-2-12(13)5-10/h10-14H,1-9,15H2
InChIKeyHSZHFWKTMKGPPR-UHFFFAOYSA-N
XLogP1.96
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-3-(1,1-dioxothiolan-3-yl)propan-2-amine with MolForge

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(1,1-dioxothiolan-3-yl)methanamine
CID 79554926
2-(2-bicyclo[2.2.1]heptanyl)-1-(1,1-dioxothiolan-3-yl)ethanol
CID 113289694
1-(2-bicyclo[2.2.1]heptanyl)pentan-2-amine
CID 79557968
1-(2-bicyclo[2.2.1]heptanyl)-3-methoxypropan-2-amine
CID 79563160
1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-amine
CID 79563499
1-(1,1-dioxothiolan-3-yl)dodecan-2-amine
CID 105138148
1-(2-bicyclo[2.2.1]heptanyl)hex-5-en-2-amine
CID 104987755
1-(2-bicyclo[2.2.1]heptanyl)-4-methoxybutan-2-amine
CID 79562664
1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxypropan-2-amine
CID 79562694
3-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoropropan-2-amine
CID 103516898
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclobutylethanamine
CID 79562076
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopentylethanamine
CID 79559439

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(1,1-dioxothiolan-3-yl)propan-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(1,1-dioxothiolan-3-yl)propan-2-amine (CID 105167856) is 1-(2-bicyclo[2.2.1]heptanyl)-3-(1,1-dioxothiolan-3-yl)propan-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-(1,1-dioxothiolan-3-yl)propan-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-(1,1-dioxothiolan-3-yl)propan-2-amine is NC(CC1CCS(=O)(=O)C1)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-(1,1-dioxothiolan-3-yl)propan-2-amine?
The InChIKey is HSZHFWKTMKGPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2S/c15-14(7-11-3-4-18(16,17)9-11)8-13-6-10-1-2-12(13)5-10/h10-14H,1-9,15H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-(1,1-dioxothiolan-3-yl)propan-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-3-(1,1-dioxothiolan-3-yl)propan-2-amine has a molecular weight of 271.43 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-3-(1,1-dioxothiolan-3-yl)propan-2-amine is sourced from PubChem (CID 105167856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).