N-(2-bicyclo[2.2.1]heptanylmethyl)-1-methylsulfinylpropan-2-amine

C12H23NOS — CID 104694131

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-1-methylsulfinylpropan-2-amine
SMILESCC(CS(C)=O)NCC1CC2CCC1C2
InChIInChI=1S/C12H23NOS/c1-9(8-15(2)14)13-7-12-6-10-3-4-11(12)5-10/h9-13H,3-8H2,1-2H3
InChIKeyZUGZRPKNBKAHAP-UHFFFAOYSA-N
MW229.39 g/mol
LogP1.78
Rot. Bonds5

About N-(2-bicyclo[2.2.1]heptanylmethyl)-1-methylsulfinylpropan-2-amine

N-(2-bicyclo[2.2.1]heptanylmethyl)-1-methylsulfinylpropan-2-amine (PubChem CID 104694131) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-1-methylsulfinylpropan-2-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-1-methylsulfinylpropan-2-amine
PubChem CID104694131
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-1-methylsulfinylpropan-2-amine
SMILESCC(CS(C)=O)NCC1CC2CCC1C2
InChIInChI=1S/C12H23NOS/c1-9(8-15(2)14)13-7-12-6-10-3-4-11(12)5-10/h9-13H,3-8H2,1-2H3
InChIKeyZUGZRPKNBKAHAP-UHFFFAOYSA-N
XLogP1.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82938569
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylhexan-2-amine
CID 79552439
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,1-N-diethylpropane-1,2-diamine
CID 79555022
N-(2-bicyclo[2.2.1]heptanylmethyl)octan-2-amine
CID 55232030
(1R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-cyclohexylethanamine
CID 81385495
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-2-methylpropan-1-amine
CID 79550151
2-(2-bicyclo[2.2.1]heptanylmethylamino)-N'-hydroxypropanimidamide
CID 77027648
3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylsulfanylbutan-1-ol
CID 104694028
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloropropanamide
CID 63683466
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-methylsulfanylbutan-2-amine
CID 104694116
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]propan-2-amine
CID 43163798
3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoic acid
CID 63682304

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-1-methylsulfinylpropan-2-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-1-methylsulfinylpropan-2-amine (CID 104694131) is N-(2-bicyclo[2.2.1]heptanylmethyl)-1-methylsulfinylpropan-2-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-1-methylsulfinylpropan-2-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-1-methylsulfinylpropan-2-amine is CC(CS(C)=O)NCC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-1-methylsulfinylpropan-2-amine?
The InChIKey is ZUGZRPKNBKAHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c1-9(8-15(2)14)13-7-12-6-10-3-4-11(12)5-10/h9-13H,3-8H2,1-2H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-1-methylsulfinylpropan-2-amine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-methylsulfinylpropan-2-amine has a molecular weight of 229.39 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-1-methylsulfinylpropan-2-amine is sourced from PubChem (CID 104694131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).