N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,1-dioxothian-4-amine

C14H25NO2S — CID 43511508

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,1-dioxothian-4-amine
SMILESCC(NC1CCS(=O)(=O)CC1)C1CC2CCC1C2
InChIInChI=1S/C14H25NO2S/c1-10(14-9-11-2-3-12(14)8-11)15-13-4-6-18(16,17)7-5-13/h10-15H,2-9H2,1H3
InChIKeyFTQNOHZXOPWXQY-UHFFFAOYSA-N
MW271.43 g/mol
LogP1.98
Rot. Bonds3

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,1-dioxothian-4-amine

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,1-dioxothian-4-amine (PubChem CID 43511508) has the molecular formula C14H25NO2S and a molecular weight of 271.43 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,1-dioxothian-4-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,1-dioxothian-4-amine
PubChem CID43511508
Molecular FormulaC14H25NO2S
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,1-dioxothian-4-amine
SMILESCC(NC1CCS(=O)(=O)CC1)C1CC2CCC1C2
InChIInChI=1S/C14H25NO2S/c1-10(14-9-11-2-3-12(14)8-11)15-13-4-6-18(16,17)7-5-13/h10-15H,2-9H2,1H3
InChIKeyFTQNOHZXOPWXQY-UHFFFAOYSA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,7-dimethyl-N-[2-(2-tricyclo[3.3.1.03,7]nonanylsulfonyl)ethyl]octan-1-amine
CID 123437021
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,1-dioxothiolan-3-amine
CID 20113273
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-3-sulfonamide
CID 24705431
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 43180626
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]thian-4-amine
CID 43394821
N-(2,3-dimethylcyclohexyl)-1,1-dioxothian-4-amine
CID 43511559
N-(2,6-dimethylcyclohexyl)-1,1-dioxothian-4-amine
CID 43614943
1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thian-4-amine
CID 43614945
1,1-dioxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)thian-4-amine
CID 43683847
N-(1-cyclohexylethyl)-1,1-dioxothian-4-amine
CID 43778630
1-(2-bicyclo[2.2.1]heptanyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 43807622
N-[(4-ethylcyclohexyl)methyl]-1,1-dioxothian-4-amine
CID 54880893

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,1-dioxothian-4-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,1-dioxothian-4-amine (CID 43511508) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,1-dioxothian-4-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,1-dioxothian-4-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,1-dioxothian-4-amine is CC(NC1CCS(=O)(=O)CC1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,1-dioxothian-4-amine?
The InChIKey is FTQNOHZXOPWXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2S/c1-10(14-9-11-2-3-12(14)8-11)15-13-4-6-18(16,17)7-5-13/h10-15H,2-9H2,1H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,1-dioxothian-4-amine?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,1-dioxothian-4-amine has a molecular weight of 271.43 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,1-dioxothian-4-amine is sourced from PubChem (CID 43511508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).