N-(3-methylsulfinylpropyl)bicyclo[2.2.1]heptan-2-amine

C11H21NOS — CID 115886368

IUPACN-(3-methylsulfinylpropyl)bicyclo[2.2.1]heptan-2-amine
SMILESCS(=O)CCCNC1CC2CCC1C2
InChIInChI=1S/C11H21NOS/c1-14(13)6-2-5-12-11-8-9-3-4-10(11)7-9/h9-12H,2-8H2,1H3
InChIKeyPWFRXSPRZVWSAZ-UHFFFAOYSA-N
MW215.36 g/mol
LogP1.53
Rot. Bonds5

About N-(3-methylsulfinylpropyl)bicyclo[2.2.1]heptan-2-amine

N-(3-methylsulfinylpropyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 115886368) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is N-(3-methylsulfinylpropyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(3-methylsulfinylpropyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID115886368
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC NameN-(3-methylsulfinylpropyl)bicyclo[2.2.1]heptan-2-amine
SMILESCS(=O)CCCNC1CC2CCC1C2
InChIInChI=1S/C11H21NOS/c1-14(13)6-2-5-12-11-8-9-3-4-10(11)7-9/h9-12H,2-8H2,1H3
InChIKeyPWFRXSPRZVWSAZ-UHFFFAOYSA-N
XLogP1.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-bicyclo[2.2.1]heptanylamino)propyl]acetamide
CID 70907454
(1S,2R,4S)-N-pentylbicyclo[2.2.1]heptan-2-amine
CID 124526640
N-(3-ethylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine
CID 65093327
N'-(2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine
CID 61309746
(1R,2S,4S)-N-(3-methoxypropyl)bicyclo[2.2.1]heptan-2-amine
CID 6594927
(1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine
CID 98048766
N-(3-ethoxypropyl)bicyclo[2.2.1]heptan-2-amine
CID 61308200
6-(2-bicyclo[2.2.1]heptanylamino)hexan-1-ol
CID 115906734
(1S,2R,6S,7R,8S)-N-[3-[(S)-methylsulfinyl]propyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 98568433
(1S,2R,6S,7R,8S)-N-[3-[(R)-methylsulfinyl]propyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 98568432
(1S,2R,6S,7R,8R)-N-[3-[(S)-methylsulfinyl]propyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 98568431
(1R,2S,4R)-N-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine
CID 98119396

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfinylpropyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(3-methylsulfinylpropyl)bicyclo[2.2.1]heptan-2-amine (CID 115886368) is N-(3-methylsulfinylpropyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(3-methylsulfinylpropyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(3-methylsulfinylpropyl)bicyclo[2.2.1]heptan-2-amine is CS(=O)CCCNC1CC2CCC1C2.
What is the InChIKey of N-(3-methylsulfinylpropyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is PWFRXSPRZVWSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-14(13)6-2-5-12-11-8-9-3-4-10(11)7-9/h9-12H,2-8H2,1H3.
What are the key properties of N-(3-methylsulfinylpropyl)bicyclo[2.2.1]heptan-2-amine?
N-(3-methylsulfinylpropyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 215.36 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfinylpropyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 115886368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).