N-[(1-methylsulfanylcyclopropyl)methyl]bicyclo[2.2.1]heptan-2-amine

C12H21NS — CID 107267605

IUPACN-[(1-methylsulfanylcyclopropyl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESCSC1(CNC2CC3CCC2C3)CC1
InChIInChI=1S/C12H21NS/c1-14-12(4-5-12)8-13-11-7-9-2-3-10(11)6-9/h9-11,13H,2-8H2,1H3
InChIKeyDXFIDVABMMDXGK-UHFFFAOYSA-N
MW211.37 g/mol
LogP2.66
Rot. Bonds4

About N-[(1-methylsulfanylcyclopropyl)methyl]bicyclo[2.2.1]heptan-2-amine

N-[(1-methylsulfanylcyclopropyl)methyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 107267605) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is N-[(1-methylsulfanylcyclopropyl)methyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[(1-methylsulfanylcyclopropyl)methyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID107267605
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC NameN-[(1-methylsulfanylcyclopropyl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESCSC1(CNC2CC3CCC2C3)CC1
InChIInChI=1S/C12H21NS/c1-14-12(4-5-12)8-13-11-7-9-2-3-10(11)6-9/h9-11,13H,2-8H2,1H3
InChIKeyDXFIDVABMMDXGK-UHFFFAOYSA-N
XLogP2.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-methylsulfanylcyclobutyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 107267219
N-[(1-cyclopropylcyclopropyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 115895728
N-[(1-propylcyclopropyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 115893902
2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]cyclopentan-1-amine
CID 107267414
N-ethylbicyclo[2.2.1]heptan-2-amine
CID 19957372
2-[1-[(2-bicyclo[2.2.1]heptanylamino)methyl]cyclopropyl]ethanol
CID 114750760
(1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine
CID 98048766
N-(2,2-difluoropropyl)bicyclo[2.2.1]heptan-2-amine
CID 130712762
(1R,2S,4R)-N-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine
CID 98119396
(1S,2R,4S)-N-pentylbicyclo[2.2.1]heptan-2-amine
CID 124526640
N-fluorobicyclo[2.2.1]heptan-2-amine
CID 123516667
N-prop-2-enylbicyclo[2.2.1]heptan-2-amine
CID 21444290

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfanylcyclopropyl)methyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[(1-methylsulfanylcyclopropyl)methyl]bicyclo[2.2.1]heptan-2-amine (CID 107267605) is N-[(1-methylsulfanylcyclopropyl)methyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[(1-methylsulfanylcyclopropyl)methyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[(1-methylsulfanylcyclopropyl)methyl]bicyclo[2.2.1]heptan-2-amine is CSC1(CNC2CC3CCC2C3)CC1.
What is the InChIKey of N-[(1-methylsulfanylcyclopropyl)methyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is DXFIDVABMMDXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-14-12(4-5-12)8-13-11-7-9-2-3-10(11)6-9/h9-11,13H,2-8H2,1H3.
What are the key properties of N-[(1-methylsulfanylcyclopropyl)methyl]bicyclo[2.2.1]heptan-2-amine?
N-[(1-methylsulfanylcyclopropyl)methyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 211.37 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfanylcyclopropyl)methyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 107267605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).